SCHEMBL691630

SCHEMBL691630

O=[C]CNCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH7 P40394 1/20 0.50
MAOA P21397 1/20 0.50
THRB P10828 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.48
CHRM2 P08172 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
SIGMAR1 Q99720 1/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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 SCHEMBL10584718 0.98 MEN1 (0.54) MEN1KMT2ATDP1ADH1BADH1C
SCHEMBL25218423 0.78 CA1 (0.49) MEN1KMT2ATHRBMAPTGAA
SCHEMBL6354330 0.78 ALDH1A1 (0.45) GAAKDM4E
SCHEMBL6362048 0.78 CHRM2 (0.52) MEN1KMT2ATDP1THRBCHRM2
SCHEMBL7103006 0.78 SIGMAR1 (0.55) MAOAMAPTGAACYP3A4SIGMAR1
SCHEMBL10695875 0.78 MEN1 (0.64) MEN1KMT2ATDP1ADH1BADH1C
SCHEMBL7747993 0.78 ALDH1A1 (0.50) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL653443 0.77 MEN1 (0.56) MEN1KMT2ATDP1ADH1BADH1C
N-Benzylpropargylamine SCHEMBL669952 0.77 PYCR1 (0.64) MEN1KMT2ATDP1MAOAMAPT
Benzene SCHEMBL11697595 0.77 MEN1 (0.78) MEN1KMT2ATDP1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015993-B Encapsulated benefit agent UNILEVER PLC 2013-03-27 CN claimed
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US claimed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO claimed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US claimed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO claimed
US-5834450-A 9- (substituted amino) -alpha-6-deoxy-5-oxy tetracycline derivatives, their preparation and their use as antibiotics PFIZER INC. (US) 1998-11-10 US claimed
WO-1998009641-A1 SEMIPEPTOID FARNESYL PROTEIN TRANSFERASE INHIBITORS AND ANALOGS THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-03-12 WO claimed
EP-0745065-A1 9-(SUBSTITUTED AMINO)-ALPHA-6-DEOXY-5-OXY TETRACYCLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS PFIZER INC. (US) 1996-12-04 EP claimed
EP-0333174-B1 Peptide compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-08 EP claimed
US-5482947-A ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS TALLEY JOHN J (US) 1996-01-09 US claimed
WO-1995022529-A1 9-(SUBSTITUTED AMINO)-ALPHA-6-DEOXY-5-OXY TETRACYCLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS PFIZER INC. (US) 1995-08-24 WO claimed
US-5187156-A D-Tryptophan- and Phenylalanine-containing tripeptides as tachykinin antagonists; asthma FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-16 US claimed
EP-0333174-A2 Peptide compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-20 EP claimed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed
JP-62093290-A None JP disclosed
US-12043639-B2 Polycationic methyl phospholipids for improved delivery of nucleic acids to eukaryotic cells MOLECULAR TRANSFER, INC. (US) 2024-07-23 US disclosed
EP-4384508-A2 LIPIDS FOR NUCLEIC ACID DELIVERY Life Technologies Corporation (US) 2024-06-19 EP disclosed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 US disclosed
US-3984403-A PAINLESS INTRAMUSCULAR INJECTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 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 (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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR MEN1 150/4885KMT2A 2414/4885TDP1 1754/4885
US-12043639-B2 Polycationic methyl phospholipids for improved delivery of nucleic acids to eukaryotic cells PHOSPHO1, MBOAT7, PLTP MEN1 604/4885KMT2A 489/4885TDP1 1152/4885
US-20070004765-A1 New compounds GHSR, GIPR, PRLHR MEN1 202/4885KMT2A 3641/4885TDP1 2910/4885

“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.