SCHEMBL378699

SCHEMBL378699

CCN(C(=O)C1(c2ccccc2)CCN(C(=O)Cl)CC1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.43
OPRD1 P41143 6/20 0.41
OPRK1 P41145 4/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
AGTR2 P50052 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD11B1 P28845 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A1 O15245 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACHE P22303 1/20 0.39
DRD3 P35462 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
SCHEMBL378658 0.92 SLC6A4 (0.47) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL378415 0.78 MEN1 (0.45) OPRM1KMT2AMEN1HSD11B1TSHR
SCHEMBL4558685 0.78 SLC6A2 (0.57) OPRM1SLC6A4SLC6A2KMT2AMEN1
SCHEMBL4560517 0.75 SLC6A2 (0.54) OPRM1SLC6A4SLC6A2KMT2AMEN1
SCHEMBL4558508 0.74 SLC6A2 (0.53) OPRM1SLC6A4SLC6A2KMT2AMEN1
SCHEMBL2473051 0.73 TSHR (0.49) OPRD1OPRK1SLC6A4KMT2ASMN1; SMN2
SCHEMBL378735 0.72 NPY1R (0.52) SLC6A4KMT2ARAB9ATSHRKCNH2
SCHEMBL378864 0.72 CHRM5 (0.57) KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL374161 0.70 ALDH1A1 (0.45) OPRM1SLC6A4SLC6A2AGTR2NPSR1
SCHEMBL2493320 0.70 OPRD1 (0.45) OPRM1OPRD1OPRK1AGTR2KMT2A

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 4 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
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP 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 24/4885OPRD1 6/4885OPRK1 3/4885

“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.