SCHEMBL2323451

SCHEMBL2323451

O=C(c1ccc(F)cc1)C1CCCNC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.49
SLC6A1 P30531 2/20 0.49
SLC6A11 P48066 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A13 Q9NSD5 1/20 0.49
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
MGLL Q99685 1/20 0.43

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 SCHEMBL5478791 0.98 HSD11B1 (0.48) HSD11B1SLC6A1SLC6A11TSHRLMNA
SCHEMBL2146518 0.90 MEN1 (0.54) HSD11B1KMT2ACYP2D6KDM4EMEN1
Hydrochloric Acid SCHEMBL5478246 0.89 MEN1 (0.57) HSD11B1KMT2ACYP2D6KDM4EMEN1
Hydrochloric Acid SCHEMBL5478248 0.89 MEN1 (0.57) HSD11B1KMT2ACYP2D6KDM4EMEN1
SCHEMBL8110383 0.87 MEN1 (0.59) HSD11B1KMT2ACYP2D6KDM4EMEN1
Bromide SCHEMBL9092341 0.86 MEN1 (0.58) HSD11B1KMT2ACYP2D6KDM4EMEN1
SCHEMBL5583005 0.84 KMT2A (0.51) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL4671412 0.84 MGLL (0.49) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL7001156 0.84 KMT2A (0.64) HSD11B1SLC6A1SLC6A11TSHRLMNA
SCHEMBL638646 0.83 SLC6A1 (0.56) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
US-6713634-B2 SEROTONIN RECEPTOR ANTAGONIST DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-30 US disclosed
US-6664251-B2 Serotonin receptor antagonist; treating cardiovascular disorder DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-12-16 US disclosed
US-20030166926-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2003-09-04 US disclosed
EP-0686632-B1 BENZOTHIAZINE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-08-06 EP disclosed
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
EP-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP disclosed
EP-0749967-B1 Substituted benzothiazine derivative SUNTORY LTD (JP) 2003-01-22 EP disclosed
EP-0915881-B1 PYRROLOAZEPINE COMPOUNDS SUNTORY LTD (JP) 2003-01-08 EP disclosed
US-6489473-B2 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, ARRHYTHMIA, MYOCARDIAL INFARCTION, CONGESTIVE HEART FAILURE, CEREBRAL INFARCTION AND CEREBRAL SEQUELAE AFTER SUBARACHNOID HEMORRHAGE, HYPERTENSION SUNTORY LIMITED (JP) 2002-12-03 US disclosed
EP-0441349-B1 Pyrroloazepine derivatives SUNTORY LTD (JP) 1996-01-03 EP disclosed
EP-0686632-A1 BENZOTHIAZINE DERIVATIVE SUNTORY LIMITED (JP) 1995-12-13 EP disclosed
US-5416082-A Antiserotonine agents SUNTORY LIMITED (JP) 1995-05-16 US disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed
US-5206239-A Cardiovascular disorders SUNTORY LIMITED (JP) 1993-04-27 US disclosed
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 US disclosed
EP-0441349-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1991-08-14 EP disclosed
US-3968217-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INCORPORATED (US) 1976-07-06 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 (2 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-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HSD11B1 741/4885SLC6A1 176/4885SLC6A11 151/4885
US-20030078256-A1 Benzothiazine derivative TPH2, ADRB2, TPH1 HSD11B1 1437/4885SLC6A1 1404/4885SLC6A11 2508/4885

“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.