SCHEMBL56072

SCHEMBL56072

O=CN1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
MAOB P27338 2/20 0.54
PDE4D Q08499 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NOTUM Q6P988 1/20 0.48
TMPRSS2 O15393 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
PHGDH O43175 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
SCHEMBL7227256 0.89 RIPK1 (0.49) MAOAMAOBPDE4DMEN1KMT2A
SCHEMBL1300437 0.89 MAOA (0.48) MAOAMAOBPDE4DMEN1KMT2A
SCHEMBL1301328 0.84 NOTUM (0.44) MAOAMAOBPDE4DMEN1KMT2A
SCHEMBL3834171 0.83 MAOA (0.50) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL7702933 0.80 MAOA (0.47) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL8307804 0.78 MAOA (0.54) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL2593505 0.77 PDE4D (0.53) PDE4DCYP2D6
SCHEMBL11744257 0.77 ESR2 (0.54) PDE4DDRD2DRD1DRD4DRD5
SCHEMBL6294892 0.77 PDE4D (0.53) MAOBPDE4DMEN1KMT2AMAPT
SCHEMBL1300634 0.77 PDE4D (0.53) PDE4DCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369702-A1 METHODS FOR TREATING ANEMIA IN SUBJECTS HAVING KIDNEY FAILURE USING INHIBITORS OF HYPOXIA-INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. (US) 2021-12-02 US claimed
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
US-20170312268-A1 METHODS FOR TREATING A NEUROLOGICAL DISORDER IN A SUBJECT USING INHIBITORS OF HYPOXIA-INDUCIBLE FACTOR (HIF) PROYL HYDROXYLASE FIBROGEN, INC. (US) 2017-11-02 US claimed
WO-2017063966-A1 SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-BENZOTHIAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 WO claimed
US-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US claimed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US claimed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 US claimed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP claimed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO claimed
US-7560450-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2009-07-14 US claimed
JP-2002539201-A 2002-11-19 JP claimed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP claimed
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US claimed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP claimed
WO-1999021860-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 1999-08-05 WO claimed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US claimed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO claimed
US-5491132-A HYPOTENSIVE AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-13 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20210369702-A1 METHODS FOR TREATING ANEMIA IN SUBJECTS HAVING KIDNEY FAILURE USING INHIBITORS OF HYPOXIA-INDUCIBLE FACTOR (HIF) HYDROXYLASE HIF1AN, HIF1A, EGLN2 MAOA 1621/4885MAOB 1104/4885PDE4D 1888/4885
US-20170312268-A1 METHODS FOR TREATING A NEUROLOGICAL DISORDER IN A SUBJECT USING INHIBITORS OF HYPOXIA-INDUCIBLE FACTOR (HIF) PROYL HYDROXYLASE HIF1AN, EGLN2, EGLN3 MAOA 565/4885MAOB 477/4885PDE4D 2202/4885
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use HSD11B1, HSD17B1, HSD3B1 MAOA 457/4885MAOB 586/4885PDE4D 2146/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 MAOA 318/4885MAOB 826/4885PDE4D 2941/4885
US-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 MAOA 3965/4885MAOB 3790/4885PDE4D 3494/4885

“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.