SCHEMBL5158712

SCHEMBL5158712

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TACR1 P25103 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
IDH1 O75874 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
SCHEMBL5158362 0.94 TACR1 (0.37) MEN1KMT2AL3MBTL1SIGMAR1TACR1
SCHEMBL5161746 0.93 CCNT1 (0.39) SIGMAR1TACR1POLBKDM4E
SCHEMBL5156409 0.92 KDM4E (0.38) ALDH1A1SIGMAR1TACR1KDM4EIDH1
SCHEMBL5158058 0.92 SIGMAR1 (0.37) ALDH1A1SIGMAR1TACR1KDM4EIDH1
SCHEMBL5158051 0.92 SIGMAR1 (0.37) SIGMAR1TACR1KDM4EIDH1
SCHEMBL5177649 0.91 SIGMAR1 (0.38) SIGMAR1TACR1KDM4EIDH1
SCHEMBL5159147 0.91 TACR1 (0.38) KMT2AL3MBTL1ALDH1A1SIGMAR1TACR1
SCHEMBL5159324 0.90 CCNT1 (0.39) SIGMAR1TACR1KDM4E
SCHEMBL5158480 0.90 CHRNB2 (0.38) ALDH1A1SIGMAR1TACR1KDM4E
SCHEMBL5161137 0.90 TACR1 (0.40) ALDH1A1TACR1KDM4E

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.