SCHEMBL5158967

SCHEMBL5158967

CC(C(=O)NC1CCNCC1c1ccccc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
CYP3A4 P08684 2/20 0.48
RECQL P46063 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
PMP22 Q01453 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CXCL8 P10145 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
HTT P42858 3/20 0.47

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
SCHEMBL5161368 0.88 GRM7 (0.48) MAPT
SCHEMBL5202482 0.80 PTGS1 (0.51) PTGS1PTGS2ALDH1A1LMNACYP3A4
SCHEMBL5161850 0.79 KDM1A (0.43) MAPT
SCHEMBL5158320 0.78 KMT2A (0.51) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1994478 0.77 ALDH1A1 (0.63) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL1994480 0.77 ALDH1A1 (0.63) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL5161860 0.76 MAPT (0.47) MAPTALDH1A1
SCHEMBL6481046 0.76 SSTR4 (0.40) MAPT
SCHEMBL6482545 0.76 KDM1A (0.43) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6493783 0.75 GRM7 (0.42)

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 2851/4885PTGS1 929/4885PTGS2 1321/4885

“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.