SCHEMBL7619973

SCHEMBL7619973

C=CCC1CC(C)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL30066037 0.81 TLR4 (0.40) FAAHALDH1A1CYP19A1NOS1NOS2
SCHEMBL11235896 0.78 FAAH (0.39) FAAHALDH1A1CYP19A1NOS1NOS2
SCHEMBL6531284 0.78 FAAH (0.35) FAAHALDH1A1CYP19A1NOS1NOS2
SCHEMBL9445799 0.77 PRSS1 (0.33)
SCHEMBL13236674 0.77 AKR1C4 (0.40) ALDH1A1
SCHEMBL20755048 0.77 FAAH (0.33) FAAHCYP19A1
SCHEMBL11431438 0.75 ALDH1A1 (0.41) ALDH1A1NOS2
SCHEMBL8734419 0.74 FAAH (0.31) FAAHCYP19A1NOS1NOS2
SCHEMBL6440187 0.74
SCHEMBL21601953 0.73 FAAH (0.30) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000808-A1 ARGINASE INHIBITORS AS THERAPEUTICS MARS, INCORPORATED 2017-01-05 US disclosed
US-9440995-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2016-09-13 US disclosed
US-9233985-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2016-01-12 US disclosed
US-20150191492-A1 ARGINASE INHIBITORS AS THERAPEUTICS MARS, INCORPORATED 2015-07-09 US disclosed
US-20120129806-A1 ARGINASE INHIBITORS AS THERAPEUTICS MARS, INCORPORATED 2012-05-24 US disclosed
US-6448286-B1 PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-09-10 US disclosed
US-6071906-A INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES G. D. SEARLE & CO. (US) 2000-06-06 US disclosed
US-6046211-A TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US disclosed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 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 (3 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-20170000808-A1 ARGINASE INHIBITORS AS THERAPEUTICS ARG1, ARG2, PRMT1 FAAH 2232/4885ALDH1A1 1448/4885CYP19A1 1439/4885
US-20120129806-A1 ARGINASE INHIBITORS AS THERAPEUTICS ARG1, ARG2, PRMT1 FAAH 2232/4885ALDH1A1 1448/4885CYP19A1 1439/4885
US-20150191492-A1 ARGINASE INHIBITORS AS THERAPEUTICS ARG1, ARG2, PRMT1 FAAH 2232/4885ALDH1A1 1448/4885CYP19A1 1439/4885

“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.