SCHEMBL5158660

SCHEMBL5158660

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRM5 P41594 1/20 0.35
DRD4 P21917 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
DRD2 P14416 1/20 0.35
PRKG1 Q13976 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
SCHEMBL5158340 0.93 MEN1 (0.44) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5161802 0.92 TACR1 (0.40) TACR1KDM4ECCNT1CDK9CYP3A4
SCHEMBL5158719 0.91 KDM4E (0.41) TACR1KDM4ECCNT1CDK9CYP3A4
SCHEMBL5156763 0.90 TACR3 (0.40) TACR1CYP3A4CYP2D6CYP2C9DRD4
SCHEMBL5158825 0.90 TACR1 (0.39) TACR1KDM4ECCNT1CDK9CYP3A4
SCHEMBL6482708 0.90 SIGMAR1 (0.41) TACR1MEN1KMT2AKDM4ECCNT1
SCHEMBL5162344 0.88 SIGMAR1 (0.39) TACR1MEN1KMT2AKDM4ECCNT1
SCHEMBL5161921 0.88 PGR (0.37) TACR1MEN1KMT2AKDM4ECCNT1
SCHEMBL5162311 0.88 KMT2A (0.40) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5156433 0.88 TACR1 (0.39) TACR1KDM4ECCNT1CDK9CYP3A4

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 2/4885MEN1 786/4885KMT2A 1384/4885

“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.