SCHEMBL7230299

SCHEMBL7230299

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(N4CCC(N)CC4)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SNCA P37840 10/20 0.46
BACE1 P56817 1/20 0.43
SMYD3 Q9H7B4 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.39
KDM1A O60341 1/20 0.39
USP25 Q9UHP3 1/20 0.38

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 0.90 SNCA (0.44) SNCABACE1ACHE
SCHEMBL7230738 0.89 SNCA (0.44) SNCABACE1ACHE
SCHEMBL7234291 0.88 CYP2D6 (0.46) SNCABACE1MAPTUSP25
SCHEMBL7224328 0.84 SNCA (0.45) SNCABACE1SMYD3MAPT
SCHEMBL7221851 0.81 TRPV1 (0.46) SNCAACHEMAPT
SCHEMBL7231540 0.81 TRPV1 (0.49) SNCAACHEUSP25
SCHEMBL7222377 0.80 SNCA (0.39) SNCABACE1ACHEMAPT
SCHEMBL7232958 0.79 TRPV1 (0.47) SNCA
SCHEMBL7221939 0.79 CTSL (0.48) SNCAACHEMAPT
SCHEMBL7224390 0.78 CDK4 (0.53) SNCA

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 172/4885SMYD3 3376/4885

“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.