SCHEMBL17101338

SCHEMBL17101338

O=C1CC2(CCNCC2)N(Cc2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2D6 P10635 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
OPRM1 P35372 1/20 0.39
EPHX2 P34913 1/20 0.38
HTR2C P28335 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
F2 P00734 1/20 0.36

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
Hydrochloric Acid SCHEMBL22653269 0.99 KMT2A (0.46) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL17101315 0.81 CYP2D6 (0.42) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL20942453 0.80 DDB1 (0.47) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL18089578 0.74 NEK2 (0.32) CYP2C19
SCHEMBL17121756 0.73 OPRD1 (0.50) ALDH1A1TSHRCYP2D6
Hydrochloric Acid SCHEMBL19946504 0.73 NEK2 (0.31) TSHR
SCHEMBL17101343 0.72 HTR2A (0.33) HTR2CHTR2A
SCHEMBL13543074 0.72 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP2C9TSHR
Hydrochloric Acid SCHEMBL2456229 0.71 CCR5 (0.48) KMT2AMEN1ALDH1A1CYP2C9TSHR
SCHEMBL323955 0.69 SIGMAR1 (0.56) KMT2AMEN1ALDH1A1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202843-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2025-01-21 US disclosed
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-02-17 US disclosed
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-02-17 US disclosed
US-11034704-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2021-06-15 US disclosed
US-11034704-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2021-06-15 US disclosed
EP-3119396-B1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-05-05 EP disclosed
EP-3119396-B1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-05-05 EP disclosed
US-10501483-B2 Enamines and diastereo-selective reduction of enamines ALLERGAN, INC. (US) 2019-12-10 US disclosed
US-10428088-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-10-01 US disclosed
US-10428088-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-10-01 US disclosed
US-20180327426-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-11-15 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
EP-3119396-A1 MUSCARINIC RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2017-01-25 EP disclosed
WO-2015140559-A1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2015-09-24 WO disclosed
WO-2015140559-A1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2015-09-24 WO 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 (8 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-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 KMT2A 2052/4885MEN1 640/4885ALDH1A1 3572/4885
US-10428088-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 KMT2A 2042/4885MEN1 627/4885ALDH1A1 3554/4885
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 KMT2A 2042/4885MEN1 627/4885ALDH1A1 3554/4885
US-12202843-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 KMT2A 2042/4885MEN1 627/4885ALDH1A1 3554/4885
US-20180327426-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 KMT2A 2042/4885MEN1 627/4885ALDH1A1 3554/4885
US-10030035-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 KMT2A 2052/4885MEN1 640/4885ALDH1A1 3572/4885
US-10501483-B2 Enamines and diastereo-selective reduction of enamines ENY2, PNMT, CHRM1 KMT2A 165/4885MEN1 131/4885ALDH1A1 3481/4885
US-11034704-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 KMT2A 2042/4885MEN1 627/4885ALDH1A1 3554/4885

“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.