SCHEMBL1492704

SCHEMBL1492704

NCC1(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 1.00
MAOA P21397 1/20 1.00
TAAR1 Q96RJ0 1/20 1.00
DPP4 P27487 4/20 0.83
SLC6A3 Q01959 9/20 0.62
SLC6A4 P31645 7/20 0.62
SLC6A2 P23975 2/20 0.62
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46

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 SCHEMBL6813615 0.98 MAOB (0.95) MAOBMAOATAAR1DPP4SLC6A3
SCHEMBL294582 0.91 DPP4 (1.00) MAOBMAOATAAR1DPP4SLC6A3
SCHEMBL294970 0.91 DPP4 (0.91) MAOBMAOATAAR1DPP4SLC6A3
Hydrochloric Acid SCHEMBL6809143 0.89 DPP4 (0.96) MAOBMAOATAAR1DPP4SLC6A3
Water SCHEMBL7260926 0.89 DPP4 (0.88) MAOBMAOATAAR1DPP4SLC6A3
Hydrochloric Acid SCHEMBL6809124 0.89 DPP4 (0.88) MAOBMAOATAAR1DPP4SLC6A3
SCHEMBL294761 0.89 DPP4 (0.96) MAOBMAOATAAR1DPP4SLC6A3
SCHEMBL17906515 0.87 SLC6A3 (0.82) MAOBMAOATAAR1DPP4SLC6A3
Hydrochloric Acid SCHEMBL3520274 0.87 DPP4 (0.92) MAOBMAOATAAR1DPP4SLC6A3
SCHEMBL1492948 0.85 MAOA (0.73) MAOBMAOATAAR1DPP4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
EP-1601349-A1 USE OF THE ENANTIOMER (1S, 2R) OF MILNACIPRAN FOR THE PREPARATION OF A MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2005-12-07 EP claimed
WO-2004075886-A1 USE OF THE ENANTIOMER (1S, 2R) OF MILNACIPRAN FOR THE PREPARATION OF A MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2004-09-10 WO claimed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 US disclosed
EP-3990112-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI International (US) 2022-05-04 EP disclosed
EP-3327027-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-07-07 EP disclosed
EP-3327027-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-01-06 EP disclosed
WO-2020264176-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2020-12-30 WO disclosed
EP-0232813-A2 N6-substituted Adenosines WARNER-LAMBERT COMPANY (US) 1987-08-19 EP disclosed
EP-0010401-B1 NOVEL (1-SUBSTITUTED) CYCLOALKYLMETHYL-ISOTHIOCYANATES, A PROCESS FOR THEIR PREPARATION, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PESTICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-05-05 EP disclosed
US-4230878-A AND 4-(UNSATURATED ALKYL)AMINOBENZOIC ACIDS AND DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1980-10-28 US disclosed
US-4227014-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed
US-4216217-A FUNGICIDES, INSECTICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-05 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed
US-4107326-A ANTIHYPERTENSIVE AGENTS, DIURETICS AMERICAN CYANAMID COMPANY (US) 1978-08-15 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL MAOB 1853/4885MAOA 1717/4885TAAR1 1603/4885
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 MAOB 2025/4885MAOA 1690/4885TAAR1 28/4885

“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.