SCHEMBL7899556

SCHEMBL7899556

CN(Cc1ccc(F)cc1)C(=O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
TACR3 P29371 12/20 0.46
TACR1 P25103 1/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL3563825 0.91 OPRM1 (0.57) OPRM1TACR1
SCHEMBL13182985 0.78 GFER (0.52) TDP1TACR3LMNA
SCHEMBL7317540 0.77 DRD3 (0.47) OPRM1
SCHEMBL5356989 0.77 OPRM1 (0.57) OPRM1TACR1
SCHEMBL2847519 0.77 OPRM1 (0.55) OPRM1TACR1
SCHEMBL10254952 0.76 TACR1 (0.69) OPRM1TACR1ALDH1A1LMNA
SCHEMBL2472311 0.76 ALDH1A1 (0.48) TACR3ALDH1A1
Hydrochloric Acid SCHEMBL7624556 0.76 OPRM1 (0.56) OPRM1TACR1LMNA
SCHEMBL3556100 0.75 NPC1 (0.49) OPRM1ALDH1A1
SCHEMBL2480969 0.75 TACR3 (0.62) TACR3

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 5 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-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 24/4885TDP1 1819/4885TACR3 41/4885

“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.