SCHEMBL5156409

SCHEMBL5156409

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
TACR1 P25103 3/20 0.36
IDH1 O75874 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MGLL Q99685 1/20 0.35
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL5158712 0.92 MEN1 (0.39) KDM4EALDH1A1SIGMAR1TACR1IDH1
SCHEMBL5162311 0.92 KMT2A (0.40) KDM4EALDH1A1CCNT1CDK9TACR1
SCHEMBL5156713 0.91 MAOA (0.36) KDM4ECCNT1CDK9TACR1PGR
SCHEMBL5158051 0.90 SIGMAR1 (0.37) KDM4ESIGMAR1CCNT1CDK9TACR1
SCHEMBL5158058 0.90 SIGMAR1 (0.37) KDM4EALDH1A1SIGMAR1CCNT1CDK9
SCHEMBL5177649 0.90 SIGMAR1 (0.38) KDM4ESIGMAR1CCNT1CDK9TACR1
SCHEMBL5158362 0.89 TACR1 (0.37) KDM4ESIGMAR1CCNT1CDK9TACR1
SCHEMBL5159324 0.89 CCNT1 (0.39) KDM4ESIGMAR1CCNT1CDK9TACR1
SCHEMBL6481715 0.89 HSD11B1 (0.37) KDM4EALDH1A1CCNT1CDK9TACR1
SCHEMBL5158480 0.89 CHRNB2 (0.38) KDM4EALDH1A1SIGMAR1CCNT1CDK9

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 KDM4E 2227/4885ALDH1A1 3567/4885SIGMAR1 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.