SCHEMBL7222401

SCHEMBL7222401

NC(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
PARP10 Q53GL7 3/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
PARP14 Q460N5 2/20 0.44
MLYCD O95822 1/20 0.43
HSD11B1 P28845 2/20 0.43
LMNA P02545 1/20 0.43
AOC3 Q16853 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NAMPT P43490 1/20 0.42
QDPR P09417 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL4969354 0.86 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL5490962 0.84 KCNH2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7230489 0.83 QDPR (0.60) CA12CA1CA2CA7CA9
SCHEMBL12306056 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15976592 0.83 MLYCD (0.48) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6195871 0.83 KCNH2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL17366221 0.83 LTA4H (0.46) CA12CA1CA2CA7CA9
SCHEMBL31734550 0.81 RAB9A (0.52) NPC1RAB9ALMNAQDPRPDE4B
SCHEMBL29072978 0.81 PARP10 (0.59) PARP10NPC1RAB9AATMPARP14
SCHEMBL7371984 0.80 PARP10 (0.58) CA12CA1CA2CA7CA9

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 CA12 1304/4885CA1 1035/4885CA2 1785/4885

“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.