SCHEMBL4485977

SCHEMBL4485977

O=CCC/C=C\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.52
ALDH1A1 P00352 3/20 0.48
TRPA1 O75762 1/20 0.48
LMNA P02545 1/20 0.48
ALOX5 P09917 1/20 0.48
MAPK1 P28482 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
IDO1 P14902 2/20 0.47
MAOB P27338 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 3/20 0.44

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
SCHEMBL2399949 1.00 PAM (0.52) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL97315 1.00 PAM (0.52) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL10430031 0.88 IDO1 (0.56) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL7939387 0.88 IDO1 (0.56) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL7568412 0.88 IDO1 (0.56) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL31634334 0.88 HDAC2 (0.44) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL97322 0.87 PAM (0.48) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL22245646 0.87 PAM (0.48) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL97135 0.87 PAM (0.48) PAMALDH1A1TRPA1LMNAALOX5
SCHEMBL5485532 0.85 PAM (0.47) PAMALDH1A1TRPA1LMNAALOX5

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 16 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-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 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
EP-2098231-A1 Use of NAD formation inhibitors for the treatment of ischemia-reperfusion injury Topotarget Switzerland SA (CH) 2009-09-09 EP disclosed
EP-1831178-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP 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-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 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-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 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
WO-2006069242-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED?DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-06-29 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 PAM 3790/4885ALDH1A1 794/4885TRPA1 4217/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 PAM 3790/4885ALDH1A1 794/4885TRPA1 4217/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 PAM 3790/4885ALDH1A1 794/4885TRPA1 4217/4885

“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.