SCHEMBL7222002

SCHEMBL7222002

O=C1CCC(c2ccc(C(=O)O)cc2)CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.46
CRBN Q96SW2 2/20 0.46
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SRD5A2 P31213 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
KMO O15229 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2790425 0.81 DDB1 (0.49) DDB1CRBNMAPTHPGD
SCHEMBL7222525 0.80 TSHR (0.44) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL7230537 0.79 CYP19A1 (0.46) TP53KMT2AESR2ALDH1A1CA12
SCHEMBL25669123 0.78 ALDH1A1 (0.44) DDB1CRBNTSHRTP53KMT2A
SCHEMBL15778957 0.78 PKM (0.40) DDB1CRBNTSHRKMT2AESR2
SCHEMBL20746237 0.78 CRBN (0.51) DDB1CRBNTSHRKMT2AESR2
SCHEMBL15778955 0.78 PKM (0.40) DDB1CRBNTSHRKMT2AESR2
SCHEMBL7235582 0.78 PKM (0.40) DDB1CRBNTSHRKMT2AESR2
SCHEMBL3670111 0.78 ESR2 (0.63) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL20036513 0.75 PKM (0.38) DDB1CRBNTSHRKMT2AESR2

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 5 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
CN-1333766-A Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds as factor xainhibitors AVENTIS PHARM PROD INC (US) 2002-01-30 CN 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 DDB1 3023/4885CRBN 3890/4885HDAC1 1317/4885

“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.