SCHEMBL7201519

SCHEMBL7201519

COC(=O)COc1ccc(CCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
PTGS2 P35354 2/20 0.51
MAOB P27338 3/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARD Q03181 1/20 0.47
PTPN1 P18031 1/20 0.47
MAPT P10636 1/20 0.47

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
Hydrochloric Acid SCHEMBL9267842 0.98 TAAR1 (0.53) TAAR1PTGS2MAOBALDH1A1CYP2C9
SCHEMBL12419500 0.89 ALDH1A1 (0.48) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
SCHEMBL5491120 0.86 PTGS2 (0.54) PTGS2MAOBALDH1A1CYP2C9CYP2C19
SCHEMBL10805292 0.85 PPARD (0.58) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
SCHEMBL4262134 0.85 ADRB2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
SCHEMBL8481490 0.85 PTGS2 (0.53) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
SCHEMBL7328232 0.85 CYP4F2 (0.64) PTGS2ALDH1A1CYP2C9CYP2C19PPARD
Hydrochloric Acid SCHEMBL6774140 0.85 MAOB (0.53) PTGS2MAOBALDH1A1CYP2C9CYP2C19
SCHEMBL7275746 0.84 MAPT (0.44) TAAR1PTGS2ALDH1A1PPARDMAPT
SCHEMBL8554090 0.84 GAA (0.59) TAAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216875-A1 METHODS OF TREATING ALZHEIMER'S DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-26 US disclosed
US-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-12-18 US disclosed
US-5604225-A DIETETICS; OBESITY DR. KARL THOMAE GMBH (DE) 1997-02-18 US disclosed
US-5457205-A Substituted thiazoles useful for treatment of diabetes DR. KARL THOMAE GMBH (DE) 1995-10-10 US disclosed
US-5399585-A Anitcoagulants, antiinflammatory, antitumor HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5219852-A Hypoglycemic agents, treatment of diabetes and obesity DR. KARL THOMAE GMBH (DE) 1993-06-15 US disclosed
US-5084466-A Anticoagulants, antiinflammatory agents, atheriosclerosis and antitumor agents HOFFMANN-LA ROCHE INC. (US) 1992-01-28 US disclosed
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP 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 (2 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-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 TAAR1 4851/4885PTGS2 2494/4885MAOB 3584/4885
US-20100216875-A1 METHODS OF TREATING ALZHEIMER'S DISEASE CTSB, BACE2, BACE1 TAAR1 3151/4885PTGS2 1046/4885MAOB 58/4885

“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.