SCHEMBL5158362

SCHEMBL5158362

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1cccc(F)c1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.37
KDM4E B2RXH2 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDH1 O75874 1/20 0.34

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 0.94 MEN1 (0.39) TACR1KDM4ESIGMAR1MEN1KMT2A
SCHEMBL5161941 0.92 CCNT1 (0.38) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5159606 0.91 CCNT1 (0.37) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5177649 0.91 SIGMAR1 (0.38) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5159147 0.91 TACR1 (0.38) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5161746 0.91 CCNT1 (0.39) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5159324 0.90 CCNT1 (0.39) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5158058 0.89 SIGMAR1 (0.37) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5156409 0.89 KDM4E (0.38) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5158051 0.89 SIGMAR1 (0.37) TACR1KDM4ECCNT1CDK9SIGMAR1

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 2/4885KDM4E 2227/4885CCNT1 2715/4885

“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.