SCHEMBL407286

SCHEMBL407286

O=C(c1ccccc1)C1CCNC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
MGLL Q99685 2/20 0.44
HTR2A P28223 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CPB1 P15086 1/20 0.43
MCL1 Q07820 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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 SCHEMBL440964 0.98 KMT2A (0.56) KMT2AMEN1CYP2D6MGLLHTR2A
SCHEMBL638646 0.89 SLC6A1 (0.56) KMT2ACYP2D6MCL1TSHR
SCHEMBL408318 0.89 KMT2A (0.66) KMT2AMEN1CYP2D6MGLLHTR2A
Hydrochloric Acid SCHEMBL4028302 0.88 SLC6A1 (0.55) KMT2AMEN1CYP2D6MCL1TSHR
Bromide SCHEMBL10968790 0.87 KMT2A (0.64) KMT2AMEN1CYP2D6MGLLHTR2A
Hydrochloric Acid SCHEMBL227939 0.87 KMT2A (0.69) KMT2AMEN1CYP2D6MGLLHTR2A
Hydrochloric Acid SCHEMBL656874 0.85 KMT2A (0.62) KMT2AMEN1CYP2D6MGLLHTR2A
SCHEMBL24111518 0.84 CHRNB2 (0.50) KMT2AMEN1MGLLHTR2ACPB1
Hydrochloric Acid SCHEMBL25370921 0.82 CHRNB2 (0.49) KMT2AMEN1CYP2D6MGLLHTR2A
SCHEMBL4200838 0.82 MEN1 (0.54) KMT2AMEN1CYP2D6MGLLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
EP-2229374-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2010-09-22 EP disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 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
EP-0749967-A1 Substituted benzothiazine derivative SUNTORY LIMITED (JP) 1996-12-27 EP disclosed
CN-1119859-A benzothiazine derivatives SUNTORY LTD (JP) 1996-04-03 CN 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
EP-0441349-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1991-08-14 EP 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 (3 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 KMT2A 1150/4885MEN1 2906/4885CYP2D6 729/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 KMT2A 2185/4885MEN1 3334/4885CYP2D6 437/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KMT2A 667/4885MEN1 4411/4885CYP2D6 1264/4885

“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.