SCHEMBL3756670

SCHEMBL3756670

Fc1ccc(CC(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
KCNH2 Q12809 2/20 0.34
MBOAT4 Q96T53 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 1/20 0.31
TRPA1 O75762 1/20 0.30
LPL P06858 1/20 0.30
LIPC P11150 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL1515229 0.81 BRS3 (0.40) DAOHTR2AHTR2CKCNH2MBOAT4
SCHEMBL31508083 0.78 CA12 (0.41)
SCHEMBL31753510 0.78 MBOAT4 (0.37) DAOHTR2AHTR2CKCNH2MBOAT4
SCHEMBL1515434 0.78 DAO (0.36) DAOHTR2AHTR2CKCNH2MBOAT4
SCHEMBL23600947 0.77 CCR1 (0.43) DAO
SCHEMBL31469752 0.77 TRPA1 (0.43) DAOMBOAT4TRPA1
SCHEMBL22719068 0.77 TRPA1 (0.43) DAOMBOAT4TRPA1
SCHEMBL31207468 0.77 GBA1 (0.41) MBOAT4
SCHEMBL23148799 0.77 GBA1 (0.41) MBOAT4
SCHEMBL9839010 0.77

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
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 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-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 DAO 2752/4885HTR2A 3316/4885HTR2C 3264/4885

“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.