SCHEMBL7222007

SCHEMBL7222007

CN1CC(c2ccc(C(=O)NCCc3ccc4[nH]cc(C#N)c4c3)cc2)CN(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 10/20 0.45
TRPV1 Q8NER1 2/20 0.44
SLC6A4 P31645 3/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 2/20 0.39
MAPT P10636 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL7231540 0.87 TRPV1 (0.49) SNCATRPV1SLC6A4ACHESLC6A2
SCHEMBL7229507 0.85 SNCA (0.47) SNCATRPV1SLC6A4POLBKMT2A
SCHEMBL7232958 0.84 TRPV1 (0.47) SNCATRPV1SLC6A4POLBSLC6A2
SCHEMBL7224015 0.84 TRPV1 (0.44) SNCATRPV1POLBKMT2AACHE
SCHEMBL7231877 0.82 TRPV1 (0.46) SNCATRPV1SLC6A4SLC6A2SLC6A3
SCHEMBL7224296 0.82 TRPV1 (0.46) SNCATRPV1SLC6A4ACHEMAPT
SCHEMBL7230603 0.82 TRPV1 (0.47) SNCATRPV1SLC6A4POLBKMT2A
SCHEMBL7221851 0.82 TRPV1 (0.46) SNCATRPV1SLC6A4ACHEMAPT
SCHEMBL7224390 0.80 CDK4 (0.53) SNCATRPV1POLBKMT2A
SCHEMBL7221939 0.79 CTSL (0.48) SNCATRPV1POLBKMT2AACHE

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 4561/4885SLC6A4 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.