SCHEMBL14916801

SCHEMBL14916801

CC(C)(C)N[C@@H](I)C(O)COc1nsnc1N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
CYP3A4 P08684 1/20 0.67
HTR1A P08908 1/20 0.67
CYP2D6 P10635 1/20 0.67
ADRB3 P13945 1/20 0.67
NFKB1 P19838 1/20 0.67
DRD1 P21728 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.58
BLM P54132 1/20 0.58
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11127560 0.81 CYP1A2 (0.64) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL10635041 0.81 CYP1A2 (0.64) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Water SCHEMBL8858823 0.80 CYP1A2 (0.63) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL4912 0.80 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL18074878 0.80 CYP1A2 (0.63) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL2553603 0.80 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL1587691 0.80 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL222970 0.80 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL10357603 0.80 CYP1A2 (0.57) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL7591293 0.79 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002440-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2024-01-04 US disclosed
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-20230340023-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2023-10-26 US disclosed
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2022-05-03 US disclosed
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME BAUSCH HEALTH IRELAND LIMITED (IE) 2022-04-21 US disclosed
US-20210403508-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2021-12-30 US disclosed
US-11142549-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2021-10-12 US disclosed
US-20200399315-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2020-12-24 US disclosed
US-20200384068-A1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE BAUSCH HEALTH IRELAND LTD (IE) 2020-12-10 US disclosed
EP-3708179-A1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE Bausch Health Ireland Limited (IE) 2020-09-16 EP disclosed
US-20150057235-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2015-02-26 US disclosed
US-8901075-B2 Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders SYNERGY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140329738-A1 Agonists of Guanylate Cyclase Useful For the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders JPMORGAN CHASE BANK, N.A. 2014-11-06 US disclosed
US-20140287002-A1 Agonists Of Guanylate Cyclase And Their Uses JPMORGAN CHASE BANK, N.A. 2014-09-25 US disclosed
US-20140187470-A1 Agonists of Guanylate Cyclase Useful For the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders SYNERGY PHARMACEUTICALS, INC. 2014-07-03 US disclosed
US-8716224-B2 Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders SYNERGY PHARMACEUTICALS INC. (US) 2014-05-06 US disclosed
US-20140024605-A1 Agonists of Guanylate Cyclase Useful For the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders SYNERGY PHARMACEUTICALS INC. (US) 2014-01-23 US disclosed
US-8569246-B2 Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders Synergy Pharamaceuticals Inc. (US) 2013-10-29 US disclosed
US-20130274204-A1 Agonists of Guanylate Cyclase Useful for the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders SYNERGY PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130116199-A1 Agonists of Guanylate Cyclase Useful For the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders SYNERGY PHARMACEUTICALS INC. (US) 2013-05-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230340023-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 2564/4885ADRB2 338/4885ADRB1 142/4885
US-20210403508-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 2564/4885ADRB2 338/4885ADRB1 142/4885
US-11142549-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 2564/4885ADRB2 338/4885ADRB1 142/4885
US-20200399315-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 2564/4885ADRB2 338/4885ADRB1 142/4885
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 2564/4885ADRB2 338/4885ADRB1 142/4885
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 2564/4885ADRB2 338/4885ADRB1 142/4885
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 CYP1A2 2564/4885ADRB2 338/4885ADRB1 142/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.