SCHEMBL6948172

SCHEMBL6948172

COc1cc2c(cc1OC)CCN[C]2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.45
TSHR P16473 1/20 0.45
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 7/20 0.43
HTR2C P28335 7/20 0.43
HTR2B P41595 7/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.37
CHRNA7 P36544 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL10399612 0.75 HTR2C (0.45) MAOAHTR2AHTR2CHTR2BKMT2A
SCHEMBL3162737 0.71 HTR2A (0.74) MAOATSHRCYP3A4MAPTHTR2A
Hydrochloric Acid SCHEMBL4247274 0.70 HTR2A (0.71) MAOATSHRCYP3A4MAPTHTR2A
Bicarbonate SCHEMBL11383469 0.68 HTR2A (0.62) MAOATSHRCYP3A4MAPTHTR2A
SCHEMBL577943 0.68 CYP3A4 (0.45) MAOATSHRCYP3A4MAPTALDH1A1
SCHEMBL5458998 0.68 CYP3A4 (0.41) MAOATSHRCYP3A4MAPTALDH1A1
SCHEMBL14481557 0.67 MAPT (0.68) MAOATSHRCYP3A4MAPTHTR2A
SCHEMBL2594537 0.67 MAPT (0.68) MAOATSHRCYP3A4MAPTHTR2A
SCHEMBL29924708 0.67 MAPT (0.68) MAOATSHRCYP3A4MAPTHTR2A
SCHEMBL329913 0.67 HTR2A (0.61) MAOATSHRCYP3A4MAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204002-B1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS INTERNATIONAL SOC FOR DRUG DEVELOPMENT S R L (IT) 2021-05-19 EP claimed
CN-109761945-B naringenin-O-alkylamine compound, preparation method and application 南阳师范学院 2020-07-31 CN claimed
CN-109651321-B apigenin-O-alkylamine compound, preparation method and application 南阳师范学院 2020-06-26 CN claimed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US claimed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US claimed
EP-0877737-B1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2001-08-01 EP claimed
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 US claimed
US-5955576-A PEPTIDE ALDEHYDE ANALOGS THAT INHIBIT THROMBIN OR FACTOR XA; FOR PREVENTION OR TREATMENT OF ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1999-09-21 US claimed
EP-0765338-B1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-04-21 EP claimed
US-5883107-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1999-03-16 US claimed
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP claimed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US claimed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 WO claimed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US claimed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO claimed
EP-0645390-A1 Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1995-03-29 EP claimed
US-4914092-A ANTIULCER AGENTS SYNTHELABO (FR) 1990-04-03 US claimed
US-4487774-A Isochromans THE UPJOHN COMPANY (US) 1984-12-11 US claimed
EP-3204002-B1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS INTERNATIONAL SOC FOR DRUG DEVELOPMENT S R L (IT) 2021-05-19 EP disclosed
US-4914092-A ANTIULCER AGENTS SYNTHELABO (FR) 1990-04-03 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D MAOA 375/4885TSHR 2697/4885CYP3A4 74/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D MAOA 375/4885TSHR 2697/4885CYP3A4 74/4885

“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.