SCHEMBL7230738

SCHEMBL7230738

CN(C)C1CCN(c2ccc(C(=O)NCCc3ccc4[nH]cc(C#N)c4c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.44
BACE1 P56817 1/20 0.42
SLC6A4 P31645 1/20 0.42
USP28 Q96RU2 2/20 0.41
KIT P10721 1/20 0.41
ACHE P22303 3/20 0.41
AR P10275 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
EGFR P00533 1/20 0.39
CDK2 P24941 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL7225749 0.89 SNCA (0.44) SNCABACE1ACHEPTGDR2
SCHEMBL7230299 0.89 SNCA (0.46) SNCABACE1ACHE
SCHEMBL7234291 0.88 CYP2D6 (0.46) SNCABACE1USP28AR
SCHEMBL7222377 0.85 SNCA (0.39) SNCABACE1SLC6A4ACHEEGFR
SCHEMBL7232975 0.84 SNCA (0.43) SNCABACE1USP28KITACHE
SCHEMBL7231540 0.80 TRPV1 (0.49) SNCASLC6A4ACHEHTR1DHTR1B
SCHEMBL7232958 0.79 TRPV1 (0.47) SNCASLC6A4
SCHEMBL7221939 0.79 CTSL (0.48) SNCAACHEAR
SCHEMBL7224390 0.78 CDK4 (0.53) SNCA
SCHEMBL7231877 0.78 TRPV1 (0.46) SNCASLC6A4HTR1DHTR1B

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 2451/4885BACE1 172/4885SLC6A4 4740/4885

“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.