SCHEMBL4554616

SCHEMBL4554616

O=C1NCC(c2ccccc2C(F)(F)F)O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.44
HTR2B P41595 10/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 8/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RBP4 P02753 1/20 0.38

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
SCHEMBL16064832 0.77 SLC6A3 (0.46) TP53
SCHEMBL10242244 0.77 SLC6A3 (0.46) TP53
SCHEMBL13394483 0.76 PKM (0.50) HTR2CMAPT
SCHEMBL20840266 0.76 ALDH1A1 (0.40) HTR2CHTR2BHTR2A
SCHEMBL20840268 0.76 ALDH1A1 (0.40) HTR2CHTR2BHTR2A
SCHEMBL28170632 0.73 HTR2C (0.45) HTR2CHTR2BTP53MAPTGAA
SCHEMBL5698914 0.72 HTR2C (0.50) HTR2CHTR2BCHRNB2CHRNA4GAA
SCHEMBL1498947 0.72 HTR2C (0.50) HTR2CHTR2BCHRNB2CHRNA4GAA
SCHEMBL11740461 0.72 USP2 (0.47) MAPT
SCHEMBL10242078 0.71 HTR2C (0.41) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP HTR2C 3807/4885HTR2B 1930/4885TP53 3947/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP HTR2C 3807/4885HTR2B 1930/4885TP53 3947/4885

“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.