SCHEMBL5156095

SCHEMBL5156095

COc1ccc(C(=O)CC(C(N)=O)(c2ccccc2)C2CCNCC2c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CYP2J2 P51589 1/20 0.39
CHRM3 P20309 1/20 0.38
FPR1 P21462 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TACR1 P25103 4/20 0.36
REN P00797 2/20 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
SCHEMBL6482543 0.90 MAPT (0.41) MAPTPKMFPR1TACR1REN
SCHEMBL5158454 0.86 ALDH1A1 (0.42) MAPTPKMFPR1RAB9ADRD2
SCHEMBL5161856 0.80 MAPT (0.49) MAPTPKMFPR1DRD2DRD3
SCHEMBL5176921 0.79 MAPT (0.44) MAPTPKMFPR1DRD2DRD3
SCHEMBL5159691 0.78 MAPT (0.39) MAPTPKMFPR1RAB9AALDH1A1
SCHEMBL5156698 0.77 MAPT (0.43) MAPTPKMFPR1TACR1
SCHEMBL5161774 0.74 MAPT (0.41) MAPTPKMFPR1DRD2DRD3
SCHEMBL5161625 0.72 MAPT (0.39) MAPTPKMFPR1ALDH1A1LMNA
SCHEMBL5161360 0.72 MAPT (0.46) MAPTPKMFPR1DRD2DRD3
SCHEMBL5158881 0.70 MAPT (0.48) MAPTPKMFPR1TACR1

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 MAPT 2851/4885PKM 609/4885CYP2J2 2419/4885

“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.