SCHEMBL7501411

SCHEMBL7501411

O=C(CC1CCC1)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
IDH1 O75874 6/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PPARA Q07869 1/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.38
MC4R P32245 2/20 0.38
MC3R P41968 2/20 0.38
MC1R Q01726 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
SCHEMBL7331796 1.00 NAAA (0.43) NAAAIDH1ALDH1A1NPC1RAB9A
SCHEMBL7405405 0.97 IDH1 (0.43) NAAAIDH1ALDH1A1NPC1RAB9A
SCHEMBL7405402 0.97 IDH1 (0.43) NAAAIDH1ALDH1A1NPC1RAB9A
SCHEMBL2073646 0.96 IDH1 (0.44) NAAAIDH1ALDH1A1NPC1RAB9A
SCHEMBL16586003 0.96 IDH1 (0.44) NAAAIDH1ALDH1A1NPC1RAB9A
SCHEMBL15873097 0.95 NAAA (0.44) NAAAIDH1ALDH1A1PPARAFAAH
SCHEMBL292406 0.95 NAAA (0.44) NAAAIDH1ALDH1A1PPARAFAAH
SCHEMBL292405 0.95 NAAA (0.44) NAAAIDH1ALDH1A1PPARAFAAH
SCHEMBL4610287 0.90 NAAA (0.41) NAAAIDH1ALDH1A1PPARAFAAH
SCHEMBL6034432 0.90 NAAA (0.41) NAAAIDH1ALDH1A1PPARAFAAH

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363119-A1 PROTEASOME INHIBITORS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2021-11-25 US disclosed
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 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-20210363119-A1 PROTEASOME INHIBITORS TP53, CDKN1A, PSME1 NAAA 3891/4885IDH1 2162/4885ALDH1A1 3887/4885

“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.