SCHEMBL5158974

SCHEMBL5158974

NC(=O)C(CC1CCNCC1c1ccccc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CXCL8 P10145 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL5161371 0.88 MAPT (0.45) MAPTPKMKDM1ATACR1
SCHEMBL5202490 0.79 HPGD (0.42) MAPTPKMPTGS1PTGS2SMN1; SMN2
SCHEMBL5158332 0.77 NPC1 (0.39) MAPTPKMSMN1; SMN2ALDH1A1LMNA
SCHEMBL6481103 0.76 MAPT (0.40) MAPTPKMKDM1ATACR1
SCHEMBL5158967 0.72 MAPT (0.48) MAPTPTGS1PTGS2CXCR1CXCR2
SCHEMBL5159003 0.71 MAPT (0.46) MAPTPKMKDM1ATACR1
SCHEMBL5158964 0.69 MAPT (0.39) MAPTPKMTACR1
SCHEMBL5156709 0.69 MAPT (0.44) MAPTPKMKDM1ATACR1
SCHEMBL5176933 0.67 MAPT (0.43) MAPTPKMKDM1ATACR1
SCHEMBL1095613 0.67 MAPT (0.49) MAPTPKMKDM1A

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 609/4885PTGS1 929/4885

“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.