SCHEMBL7224364

SCHEMBL7224364

CC(=O)N1CCC(c2ccc(C(=O)NCCc3ccc4[nH]cc(C(=N)N)c4c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 2/20 0.47
EP300 Q09472 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CREBBP Q92793 1/20 0.39
BTK Q06187 1/20 0.39
SNCA P37840 3/20 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
SCHEMBL7222496 0.93 TRPV1 (0.46) HAT1EP300TRPV1SNCALMNA
SCHEMBL7232847 0.92 HAT1 (0.52) HAT1EP300TRPV1SNCALMNA
SCHEMBL7231452 0.89 TRPV1 (0.46) HAT1EP300TRPV1PRKAB2PRKAG1
SCHEMBL7231259 0.87 TRPV1 (0.48) HAT1EP300TRPV1SNCALMNA
SCHEMBL7222215 0.85 TRPV1 (0.47) HAT1EP300TRPV1POLBSNCA
SCHEMBL7232958 0.84 TRPV1 (0.47) HAT1EP300TRPV1PRKAB2PRKAG1
SCHEMBL7224015 0.84 TRPV1 (0.44) HAT1EP300TRPV1POLBSNCA
SCHEMBL7222939 0.83 TRPV1 (0.43) TRPV1POLBSNCALMNAL3MBTL1
SCHEMBL7233757 0.82 TRPV1 (0.45) TRPV1POLBSNCALMNAL3MBTL1
SCHEMBL7224328 0.80 SNCA (0.45) POLBSNCALMNAL3MBTL1

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 8 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 claimed
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 claimed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP claimed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO claimed
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 HAT1 2001/4885EP300 2259/4885TRPV1 4561/4885

“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.