SCHEMBL3564463

SCHEMBL3564463

[C-]#[N+]C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
F2 P00734 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP2D6 P10635 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 2/20 0.36
HRH1 P35367 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
GRM7 Q14831 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL13196404 0.80 ALDH1A1 (0.47) TSHRLMNARAB9AMAPK1
SCHEMBL7882222 0.75 DPP4 (0.43) DPP4F2TSHRHTR2ATAAR1
SCHEMBL15773909 0.73 DPP4 (0.41) DPP4F2TSHRHTR2ATAAR1
SCHEMBL4149963 0.73 DPP4 (0.41) DPP4F2TSHRHTR2ATAAR1
SCHEMBL8550829 0.71 DPP4 (0.39) DPP4F2TSHRHTR2ATAAR1
SCHEMBL6923382 0.71 DPP4 (0.52) DPP4F2TSHRHTR2ATAAR1
SCHEMBL377591 0.71 TAAR1 (0.42) DPP4F2TSHRTAAR1CYP2D6
SCHEMBL450918 0.71 TAAR1 (0.42) DPP4F2TSHRTAAR1CYP2D6
SCHEMBL2406731 0.71 TAAR1 (0.42) DPP4F2TSHRTAAR1CYP2D6
SCHEMBL5847868 0.69 HTR2A (0.46) DPP4F2TSHRHTR2ATAAR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955409-A Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-11-15 CN disclosed
CN-112867539-B Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-08-06 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
EP-2900633-A1 ALPHA HYDROXY AMIDES Merck Patent GmbH (DE) 2015-08-05 EP disclosed
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 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 (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-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R DPP4 182/4885F2 2140/4885TSHR 106/4885
US-20150250792-A1 ALPHA HYDROXY AMIDES HCAR1, NAA40, HCAR2 DPP4 4657/4885F2 3465/4885TSHR 730/4885

“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.