SCHEMBL5159703

SCHEMBL5159703

COc1ccc(C(C(N)=O)C(c2ccc(-c3ccccc3)o2)C2CCNCC2c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
HSD17B2 P37059 2/20 0.37
GPR88 Q9GZN0 2/20 0.37
NQO2 P16083 1/20 0.35
ALOX5 P09917 1/20 0.34
MC4R P32245 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTCH1 P46531 1/20 0.33
NOTCH3 Q9UM47 1/20 0.33

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
SCHEMBL5158470 0.86 MAPT (0.43) MAPTPKMHSD17B2GPR88
SCHEMBL5156709 0.77 MAPT (0.44) MAPTPKM
SCHEMBL5161638 0.75 CYP2C19 (0.41) MAPTPKMHSD17B2ALDH1A1
SCHEMBL5159699 0.72 MAPT (0.38) MAPTPKMGPR88KDM4EALDH1A1
SCHEMBL5159691 0.72 MAPT (0.39) MAPTPKMNQO2ALOX5KDM4E
SCHEMBL5176933 0.71 MAPT (0.43) MAPTPKM
SCHEMBL6484350 0.71 MAPT (0.41) MAPTPKMHSD17B2GPR88ALDH1A1
SCHEMBL5156159 0.67 MAPT (0.46) MAPTPKMHSD17B2
SCHEMBL10675560 0.65 REN (0.51) MAPTPKMALDH1A1
SCHEMBL10675547 0.65 REN (0.51) MAPTPKMALDH1A1

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 609/4885HSD17B2 2571/4885

“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.