SCHEMBL5159147

SCHEMBL5159147

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.38
KDM4E B2RXH2 2/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
OPRL1 P41146 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDH1 O75874 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A1 P30531 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
SCHEMBL5161771 0.95 TACR1 (0.38) TACR1KDM4ECCNT1CDK9OPRL1
SCHEMBL5158704 0.93 TACR1 (0.37) TACR1KDM4ECCNT1CDK9OPRL1
SCHEMBL5162311 0.91 KMT2A (0.40) TACR1KDM4ECCNT1CDK9OPRL1
SCHEMBL5158712 0.91 MEN1 (0.39) TACR1KDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL5158362 0.91 TACR1 (0.37) TACR1KDM4ECCNT1CDK9KMT2A
SCHEMBL6482708 0.89 SIGMAR1 (0.41) TACR1KDM4ECCNT1CDK9GAA
SCHEMBL5161746 0.89 CCNT1 (0.39) TACR1KDM4ECCNT1CDK9SIGMAR1
SCHEMBL5158719 0.89 KDM4E (0.41) TACR1KDM4ECCNT1CDK9ALDH1A1
SCHEMBL5159324 0.88 CCNT1 (0.39) TACR1KDM4ECCNT1CDK9OPRL1
SCHEMBL5161802 0.88 TACR1 (0.40) TACR1KDM4ECCNT1CDK9OPRL1

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.