SCHEMBL5158340

SCHEMBL5158340

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
TACR1 P25103 4/20 0.38
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A4 P31645 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL5158660 0.93 TACR1 (0.39) MEN1KMT2AL3MBTL1KDM4ESIGMAR1
SCHEMBL5159284 0.92 SIGMAR1 (0.40) KDM4ESIGMAR1TACR1TMEM97
SCHEMBL6482708 0.91 SIGMAR1 (0.41) MEN1KMT2AKDM4ESIGMAR1TACR1
SCHEMBL5162344 0.90 SIGMAR1 (0.39) MEN1KMT2AKDM4ESIGMAR1TACR1
SCHEMBL5156763 0.90 TACR3 (0.40) SIGMAR1TACR1DRD4DRD3
SCHEMBL5174357 0.90 SIGMAR1 (0.39) KDM4ESIGMAR1TACR1TMEM97
SCHEMBL5158719 0.90 KDM4E (0.41) KDM4ESIGMAR1TACR1TMEM97
SCHEMBL5161336 0.89 KMT2A (0.42) MEN1KMT2ASIGMAR1TACR1KCNH2
SCHEMBL5161802 0.89 TACR1 (0.40) KDM4ESIGMAR1TACR1TMEM97
SCHEMBL5156675 0.89 TACR1 (0.47) MEN1KMT2ASIGMAR1TACR1DRD4

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 MEN1 786/4885KMT2A 1384/4885L3MBTL1 4022/4885

“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.