SCHEMBL6474353

SCHEMBL6474353

CC(C)(O)c1ccc(C#N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.49
TRPV4 Q9HBA0 1/20 0.48
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
TRPA1 O75762 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL495417 0.85 TRPV4 (0.52) ARTRPV4CYP11B1CYP11B2
SCHEMBL26124467 0.83 TRPV4 (0.50) ARTRPV4CYP11B1CYP11B2
SCHEMBL24876709 0.79 TRPV4 (0.46) ARTRPV4CYP11B1CYP11B2
SCHEMBL26394780 0.79 TRPV4 (0.46) ARTRPV4CYP11B1CYP11B2TRPA1
SCHEMBL495426 0.79 CYP11B1 (0.57) ARTRPV4CYP11B1CYP11B2
SCHEMBL7367383 0.78 AR (0.71) ARTRPV4
SCHEMBL28994622 0.78 AR (0.45) ARGABRA1GABRG2GABRB3GABRA3
SCHEMBL24743943 0.78 AR (0.38) ARTRPV4CYP11B1CYP11B2TRPA1
SCHEMBL26394695 0.77 TRPV4 (0.44) ARTRPV4CYP11B1CYP11B2
SCHEMBL22021978 0.76 TRPV4 (0.43) ARTRPV4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
EP-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 EP disclosed
US-6740655-B2 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA PFIZER INC 2004-05-25 US disclosed
CN-1489588-A Thiazolyl-oxazolyl-pyrrolyl-and imidazolyl-acid amide derivatives useful as inbibitors of PDE 4 isozymes �Ʒ� 2004-04-14 CN disclosed
EP-1355907-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US disclosed
CN-1404480-A Pyrimidine carboxamides as inhibitors of the PDE4 isozyme PFIZER PROD INC (US) 2003-03-19 CN disclosed
EP-1252157-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 US disclosed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
WO-2001057025-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 AR 44/4885TRPV4 2034/4885CYP11B1 42/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A AR 994/4885TRPV4 2530/4885CYP11B1 58/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 AR 248/4885TRPV4 3079/4885CYP11B1 34/4885

“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.