SCHEMBL4197804

SCHEMBL4197804

FC(F)Cc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
CYP1A2 P05177 2/20 0.54
CYP2A6 P11509 2/20 0.54
MC4R P32245 2/20 0.47
MC5R P33032 2/20 0.47
SIGMAR1 Q99720 2/20 0.45
MC3R P41968 1/20 0.44
SLC6A4 P31645 1/20 0.44
TACR1 P25103 2/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL27699913 0.78 HTR2A (0.60) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL3677922 0.78 HTR2A (0.71) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL14387258 0.78 HTR2A (0.55) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL8198238 0.77 HTR2A (0.58) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL2482281 0.76 HTR2A (0.58) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL268036 0.75 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL5306693 0.75 HTR2A (0.56) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL5144401 0.75 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL10937919 0.75 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL17413319 0.75 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 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 (5 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTR2A 666/4885HTR2C 516/4885HTR2B 585/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTR2A 641/4885HTR2C 506/4885HTR2B 588/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 HTR2A 537/4885HTR2C 415/4885HTR2B 516/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTR2A 641/4885HTR2C 506/4885HTR2B 588/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTR2A 641/4885HTR2C 506/4885HTR2B 588/4885

“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.