SCHEMBL5159324

SCHEMBL5159324

Cc1ccc(F)cc1COC1CCN(C(=O)CN2CCCC2)CC1c1ccc(F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.39
CDK9 P50750 4/20 0.39
TACR1 P25103 9/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
PGR P06401 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
CYP3A4 P08684 1/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL5161921 0.94 PGR (0.37) CCNT1CDK9TACR1KDM4ECYP2D6
SCHEMBL5161746 0.94 CCNT1 (0.39) CCNT1CDK9TACR1KDM4ESIGMAR1
SCHEMBL5161941 0.92 CCNT1 (0.38) CCNT1CDK9TACR1KDM4ECYP2D6
SCHEMBL5177649 0.90 SIGMAR1 (0.38) CCNT1CDK9TACR1KDM4ECYP2D6
SCHEMBL5158712 0.90 MEN1 (0.39) TACR1KDM4ESIGMAR1
SCHEMBL5158719 0.90 KDM4E (0.41) CCNT1CDK9TACR1KDM4ECYP2D6
SCHEMBL5159256 0.90 CCNT1 (0.37) CCNT1CDK9TACR1KDM4ECYP2D6
SCHEMBL5158362 0.90 TACR1 (0.37) CCNT1CDK9TACR1KDM4ESIGMAR1
SCHEMBL5161802 0.89 TACR1 (0.40) CCNT1CDK9TACR1KDM4ECYP2D6
SCHEMBL5161771 0.89 TACR1 (0.38) CCNT1CDK9TACR1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP claimed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
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 CCNT1 2715/4885CDK9 716/4885TACR1 2/4885

“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.