SCHEMBL3092702

SCHEMBL3092702

CCOC(=O)C1(c2ccc(C(F)(F)F)nc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.51
KCNH2 Q12809 3/20 0.45
HTT P42858 1/20 0.43
SLC6A7 Q99884 1/20 0.42
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 1/20 0.40
USP7 Q93009 1/20 0.40

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
SCHEMBL379371 0.86 OPRM1 (0.67) OPRM1KCNH2HTTSLC6A7OPRD1
SCHEMBL3091636 0.86 KCNH2 (0.48) KCNH2SLC6A7MEN1KMT2ARORC
SCHEMBL3104194 0.81 OPRM1 (0.48) OPRM1HTTSLC6A7OPRD1OPRK1
SCHEMBL3097473 0.80 OPRM1 (0.45) OPRM1KCNH2OPRD1OPRK1
SCHEMBL13092321 0.80 KCNH2 (0.43) KCNH2SLC6A7
SCHEMBL378594 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL396160 0.76 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1
SCHEMBL3104231 0.76 OPRM1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL378419 0.76 MEN1 (0.45) OPRM1HTTSLC6A7MEN1KMT2A
SCHEMBL378819 0.72 PKLR (0.53) OPRM1HTTSLC6A7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 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 (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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 OPRM1 24/4885KCNH2 104/4885HTT 901/4885

“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.