SCHEMBL7229507

SCHEMBL7229507

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(C4CNC(=O)NC4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SNCA P37840 14/20 0.47
TRPV1 Q8NER1 1/20 0.44
ACHE P22303 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL7224296 0.90 TRPV1 (0.46) SNCATRPV1ACHEMAPTSLC6A4
SCHEMBL7222007 0.85 SNCA (0.45) SNCATRPV1ACHEMAPTPOLB
SCHEMBL7231540 0.84 TRPV1 (0.49) SNCATRPV1ACHESLC6A4
SCHEMBL7222939 0.83 TRPV1 (0.43) SNCATRPV1POLBKMT2A
SCHEMBL7230603 0.82 TRPV1 (0.47) SNCATRPV1ACHEMAPTPOLB
SCHEMBL7221851 0.82 TRPV1 (0.46) SNCATRPV1ACHEMAPTSLC6A4
SCHEMBL7232958 0.82 TRPV1 (0.47) SNCATRPV1POLBSLC6A4
SCHEMBL7231877 0.81 TRPV1 (0.46) SNCATRPV1SLC6A4
SCHEMBL7224390 0.80 CDK4 (0.53) SNCATRPV1POLBKMT2A
SCHEMBL7225068 0.77 SNCA (0.49) SNCATRPV1ACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO 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 (1 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 SNCA 2451/4885TRPV1 4561/4885ACHE 681/4885

“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.