SCHEMBL3555402

SCHEMBL3555402

Fc1ccc(Br)c(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.51
GPBAR1 Q8TDU6 2/20 0.47
MTOR P42345 2/20 0.41
RHOC P08134 2/20 0.41
RHOA P61586 2/20 0.41
CCR2 P41597 3/20 0.37
MLYCD O95822 1/20 0.36
HTR2A P28223 1/20 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
SCHEMBL1599514 0.88 TACR1 (0.54) TACR1GPBAR1MTORRHOCRHOA
SCHEMBL27312583 0.79 LMNA (0.53) TACR1GPBAR1MTORRHOCRHOA
SCHEMBL3559178 0.79 PIN1 (0.45) TACR1GPBAR1HTR2A
SCHEMBL5084706 0.77 TACR1 (0.59) TACR1GPBAR1MTORRHOCRHOA
SCHEMBL1921828 0.75 TACR1 (0.49) TACR1GPBAR1
SCHEMBL1600175 0.74 TACR1 (0.46) TACR1GPBAR1MTORRHOCRHOA
SCHEMBL14629998 0.73 MPO (0.39) HTR2A
SCHEMBL27312392 0.72 TACR1 (0.60) TACR1GPBAR1
SCHEMBL3556844 0.71 CETP (0.48) TACR1GPBAR1
SCHEMBL27312602 0.71 TACR1 (0.67) TACR1GPBAR1MTORRHOCRHOA

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
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
EP-1737811-A4 CETP INHIBITORS MERCK & CO INC (US) 2009-06-17 EP disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
EP-1737811-A1 CETP INHIBITORS Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100298-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2005-10-27 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-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 TACR1 3645/4885GPBAR1 286/4885MTOR 2466/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 TACR1 3645/4885GPBAR1 286/4885MTOR 2466/4885

“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.