SCHEMBL4489093

SCHEMBL4489093

CCC=CCC[C@@H]1COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TBXA2R P21731 1/20 0.31
TBXAS1 P24557 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL4489086 1.00 CA2 (0.39) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL4489089 1.00 CA2 (0.39) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL7154235 0.84 CA2 (0.38) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL7156281 0.84 CA2 (0.38) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL13305488 0.81 CA2 (0.41) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL4502383 0.81 CA2 (0.36) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL13631758 0.81 CA2 (0.36) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL4502382 0.81 CA2 (0.36) CA2ALDH1A1NPSR1TBXA2RTBXAS1
SCHEMBL4135508 0.78
SCHEMBL6125258 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 US 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 CA2 1524/4885ALDH1A1 794/4885NPSR1 2637/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 CA2 1524/4885ALDH1A1 794/4885NPSR1 2637/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 CA2 1524/4885ALDH1A1 794/4885NPSR1 2637/4885

“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.