SCHEMBL1998341

SCHEMBL1998341

Cc1cc(-c2ccc(F)cc2)ccc1-n1ncc(CN2CCC(O)C2)c1-c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
MCHR1 Q99705 4/20 0.38
HTR2C P28335 3/20 0.38
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CD274 Q9NZQ7 2/20 0.34
PDCD1 Q15116 1/20 0.34
CXCR3 P49682 1/20 0.34
HTR1A P08908 1/20 0.33
HTR2B P41595 1/20 0.33
SMO Q99835 1/20 0.33
APLNR P35414 1/20 0.33
PDE2A O00408 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP3A4 P08684 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL1998836 0.92 HTR2C (0.39) HTR7MCHR1HTR2CF2F10
SCHEMBL1998525 0.85 HTR7 (0.39) HTR7ADORA2AADORA1CXCR3HTR1A
SCHEMBL1998680 0.85 HTR7 (0.39) HTR7ADORA2AADORA1HTR1ASMO
SCHEMBL2000116 0.85 F10 (0.38) MCHR1HTR2CF2F10CD274
SCHEMBL2760900 0.84 MCHR1 (0.39) MCHR1HTR2CADORA2AADORA1CXCR3
SCHEMBL2003024 0.83 HTR2C (0.37) MCHR1HTR2CF2F10ADORA2A
SCHEMBL5228047 0.83 HTR2C (0.37) MCHR1HTR2CF10ADORA2AADORA1
SCHEMBL5228002 0.82 TSHR (0.39) MCHR1HTR2CSMOPDE2A
SCHEMBL2001019 0.80 CXCR3 (0.36) MCHR1HTR2CF2F10CXCR3
SCHEMBL5226446 0.78 ALDH1A1 (0.41) CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
EP-1611094-B1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-20 EP disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 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 (1 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-20060276650-A1 Pyrazole compounds HTR1D, HTR1A, HTR3A HTR7 16/4885MCHR1 37/4885HTR2C 12/4885

“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.