SCHEMBL1674655

SCHEMBL1674655

COc1cn[c]c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
ACHE P22303 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
SCHEMBL1674705 0.75
SCHEMBL311410 0.70
SCHEMBL1674699 0.68
SCHEMBL312400 0.68 AGXT (0.35) ACHE
SCHEMBL18883682 0.67 ALDH1A1 (0.40) ALDH1A1ACHE
SCHEMBL311916 0.67 ACHE (0.33) ALDH1A1ACHE
SCHEMBL4059945 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4060260 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4061519 0.65 L3MBTL1 (0.33) ALDH1A1
SCHEMBL3430576 0.64 ALDH1A1 (0.34) ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436000-B2 Substituted carbamate derivatives as modulators of corticotropin-releasing factor receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-07 US claimed
EP-2307024-B1 SUBSTITUTED CARBAMATE DERIVATIVES AS MODULATORS OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-01-09 EP claimed
JP-2011529899-A 2011-12-15 JP claimed
US-20110124662-A1 Substituted Carbamate Derivatives as Modulators of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US claimed
EP-2307024-A1 SUBSTITUTED CARBAMATE DERIVATIVES AS MODULATORS OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-04-13 EP claimed
WO-2010014687-A1 SUBSTITUTED CARBAMATE DERIVATIVES AS MODULATORS OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-04 WO claimed
US-8436000-B2 Substituted carbamate derivatives as modulators of corticotropin-releasing factor receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-07 US disclosed
EP-2307024-B1 SUBSTITUTED CARBAMATE DERIVATIVES AS MODULATORS OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-01-09 EP disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-20110124662-A1 Substituted Carbamate Derivatives as Modulators of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
EP-2307024-A1 SUBSTITUTED CARBAMATE DERIVATIVES AS MODULATORS OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-04-13 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 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 (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-20110124662-A1 Substituted Carbamate Derivatives as Modulators of Corticotropin-Releasing Factor Receptor Activity CRH, CRHR1, CRHR2 ALDH1A1 4265/4885ADRA2A 444/4885ADRA2C 316/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA ALDH1A1 2279/4885ADRA2A 3977/4885ADRA2C 2934/4885

“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.