SCHEMBL5156763

SCHEMBL5156763

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.40
DRD4 P21917 2/20 0.39
OPRK1 P41145 8/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TACR1 P25103 3/20 0.38
OPRM1 P35372 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRD1 P41143 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5156766 0.93 DRD4 (0.37) TACR3DRD4DRD3SIGMAR1TACR1
SCHEMBL5158719 0.91 KDM4E (0.41) SIGMAR1TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5158340 0.90 MEN1 (0.44) DRD4DRD3SIGMAR1TACR1
SCHEMBL5158660 0.90 TACR1 (0.39) DRD4SIGMAR1TACR1CYP3A4CYP2D6
SCHEMBL5161802 0.89 TACR1 (0.40) SIGMAR1TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5158527 0.88 TACR1 (0.39) DRD4SIGMAR1TACR1CYP3A4CYP2D6
SCHEMBL5156433 0.88 TACR1 (0.39) SIGMAR1TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5162311 0.88 KMT2A (0.40) TACR1CYP3A4CYP2D6CYP2C9TDP1
SCHEMBL5159284 0.88 SIGMAR1 (0.40) SIGMAR1TACR1
SCHEMBL6482708 0.88 SIGMAR1 (0.41) SIGMAR1TACR1

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-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 TACR3 4/4885DRD4 1196/4885OPRK1 44/4885

“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.