SCHEMBL2176435

SCHEMBL2176435

CC1(C(F)(F)F)C[C@@H](O)c2cc(Br)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.37
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
PBRM1 Q86U86 1/20 0.33
HTR2B P41595 1/20 0.32
PGR P06401 1/20 0.32
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2177831 0.84 KDM1A (0.35) TRPV1PBRM1HTR2BALDH1A1
SCHEMBL9141913 0.82 TLR3 (0.43) TRPV1OPRM1OPRK1HTR2BAKR1B1
SCHEMBL8515250 0.75 OPRM1 (0.34) OPRM1OPRK1HTR2BAKR1B1
SCHEMBL619444 0.74 HDAC3 (0.39)
SCHEMBL4420243 0.74 HDAC3 (0.39) TRPV1
SCHEMBL13499163 0.74 HDAC3 (0.39) TRPV1
SCHEMBL8537172 0.72 IDO1 (0.36) TRPV1OPRM1OPRK1HTR2BAKR1B1
SCHEMBL11000607 0.70 KCNE1 (0.37) PGRALDH1A1POLBTSHR
SCHEMBL31085042 0.70 TRPV1 (0.43) TRPV1OPRM1OPRK1AKR1B1ALDH1A1
SCHEMBL19889295 0.69 AHR (0.35) PBRM1HTR2BAKR1B1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TRPV1 3350/4885OPRM1 3933/4885OPRK1 2595/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP TRPV1 3350/4885OPRM1 3933/4885OPRK1 2595/4885

“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.