SCHEMBL5161802

SCHEMBL5161802

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.40
KDM4E B2RXH2 2/20 0.38
SIGMAR1 Q99720 3/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL5158825 0.96 TACR1 (0.39) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5158719 0.94 KDM4E (0.41) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5158660 0.92 TACR1 (0.39) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL6482708 0.92 SIGMAR1 (0.41) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5161771 0.91 TACR1 (0.38) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5159284 0.90 SIGMAR1 (0.40) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5158527 0.90 TACR1 (0.39) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5156433 0.90 TACR1 (0.39) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5159324 0.89 CCNT1 (0.39) TACR1KDM4ESIGMAR1CCNT1CDK9
SCHEMBL5158340 0.89 MEN1 (0.44) TACR1KDM4ESIGMAR1TMEM97

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 2227/4885SIGMAR1 779/4885

“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.