SCHEMBL5158320

SCHEMBL5158320

CC(C(=O)NC1CCNCC1c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
SSTR4 P31391 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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) SSTR4MAPT
SCHEMBL6481046 0.80 SSTR4 (0.40) SSTR4MAPT
SCHEMBL5161518 0.78 PGR (0.36) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL5202482 0.78 PTGS1 (0.51) ALDH1A1LMNAHPGD
SCHEMBL5158967 0.78 MAPT (0.48) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL5161850 0.77 KDM1A (0.43) SSTR4MAPT
SCHEMBL5158998 0.76 SSTR4 (0.53) SSTR4MAPTHPGD
SCHEMBL6493783 0.75 GRM7 (0.42)
SCHEMBL5161860 0.74 MAPT (0.47) ALDH1A1MAPT
SCHEMBL5176925 0.73 KDM1A (0.46) SSTR4MAPT

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 KMT2A 1384/4885NPC1 822/4885RAB9A 3825/4885

“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.