SCHEMBL5158058

SCHEMBL5158058

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
TACR1 P25103 7/20 0.36
KDM4E B2RXH2 2/20 0.36
IDH1 O75874 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 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 0.92 MEN1 (0.39) SIGMAR1TACR1KDM4EIDH1ALDH1A1
SCHEMBL5160981 0.91 CCR5 (0.36) SIGMAR1TACR1KDM4ECCNT1CDK9
SCHEMBL5156409 0.90 KDM4E (0.38) SIGMAR1TACR1KDM4EIDH1CCNT1
SCHEMBL5158051 0.90 SIGMAR1 (0.37) SIGMAR1TACR1KDM4EIDH1CCNT1
SCHEMBL5177649 0.90 SIGMAR1 (0.38) SIGMAR1TACR1KDM4EIDH1CCNT1
SCHEMBL5158362 0.89 TACR1 (0.37) SIGMAR1TACR1KDM4EIDH1CCNT1
SCHEMBL5159324 0.89 CCNT1 (0.39) SIGMAR1TACR1KDM4ECCNT1CDK9
SCHEMBL5161137 0.89 TACR1 (0.40) TACR1KDM4EALDH1A1CARM1PRMT6
SCHEMBL5158480 0.89 CHRNB2 (0.38) SIGMAR1TACR1KDM4ECCNT1CDK9
SCHEMBL6482708 0.88 SIGMAR1 (0.41) SIGMAR1TACR1KDM4EIDH1CCNT1

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 SIGMAR1 779/4885TACR1 2/4885KDM4E 2227/4885

“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.