SCHEMBL3207199

SCHEMBL3207199

Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cnc2C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.38
CETP P11597 18/20 0.36

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
SCHEMBL13918433 0.85 TACR1 (0.38) TACR1CETP
SCHEMBL3224312 0.85 TACR1 (0.38) TACR1CETP
SCHEMBL1600392 0.84 CETP (0.42) TACR1CETP
SCHEMBL3217676 0.81 CETP (0.40) TACR1CETP
SCHEMBL3582626 0.81 CETP (0.36) TACR1CETP
SCHEMBL14470856 0.80 CETP (0.39) TACR1CETP
SCHEMBL3576572 0.80 CETP (0.39) TACR1CETP
SCHEMBL3215672 0.80 CETP (0.41) CETP
SCHEMBL3198681 0.79 CETP (0.39) CETP
SCHEMBL1601013 0.78 CETP (0.45) TACR1CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076021-A1 Organic Compounds IMASE HIDETOMO 2010-03-25 US disclosed
US-20100076021-A1 Organic Compounds IMASE HIDETOMO 2010-03-25 US disclosed
US-20100076021-A1 Organic Compounds IMASE HIDETOMO 2010-03-25 US disclosed
US-20100041705-A1 Organic Compounds NOVARTIS AG 2010-02-18 US disclosed
US-20100041705-A1 Organic Compounds NOVARTIS AG 2010-02-18 US disclosed
US-20100041705-A1 Organic Compounds NOVARTIS AG 2010-02-18 US disclosed
CN-101600708-A Organic compound NOVARTIS AG (CH) 2009-12-09 CN disclosed
EP-2086961-A1 HETEROCYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-08-12 EP disclosed
EP-2084149-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-05 EP disclosed
WO-2008058961-A1 HETEROCYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-05-22 WO disclosed
WO-2008058961-A1 HETEROCYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-05-22 WO disclosed
WO-2008058967-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-05-22 WO disclosed
WO-2008058967-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-05-22 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 (2 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-20100076021-A1 Organic Compounds CETP, NPC1, LCAT TACR1 1439/4885CETP 1/4885
US-20100041705-A1 Organic Compounds CETP, NPC1, LCAT TACR1 1439/4885CETP 1/4885

“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.