SCHEMBL5161137

SCHEMBL5161137

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.40
TTR P02766 1/20 0.39
SLC6A1 P30531 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 4/20 0.39
WNT3 P56703 1/20 0.38
SFRP1 Q8N474 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5158712 0.90 MEN1 (0.39) TACR1KDM4EALDH1A1
SCHEMBL5158058 0.89 SIGMAR1 (0.37) TACR1KDM4EALDH1A1CARM1PRMT6
SCHEMBL5158051 0.89 SIGMAR1 (0.37) TACR1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL5156409 0.89 KDM4E (0.38) TACR1OPRD1OPRK1KDM4ECYP2D6
SCHEMBL5177649 0.88 SIGMAR1 (0.38) TACR1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL5158362 0.88 TACR1 (0.37) TACR1KDM4E
SCHEMBL5159324 0.87 CCNT1 (0.39) TACR1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL5158480 0.87 CHRNB2 (0.38) TACR1KDM4EALDH1A1CARM1PRMT6
SCHEMBL5161746 0.87 CCNT1 (0.39) TACR1KDM4E
SCHEMBL6482708 0.87 SIGMAR1 (0.41) TACR1SLC6A1KDM4EALDH1A1MAPT

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 TACR1 2/4885TTR 4184/4885SLC6A1 869/4885

“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.