SCHEMBL5161371

SCHEMBL5161371

NC(=O)C(CC1CCNCC1c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
EPHX1 P07099 1/20 0.42
KDM1A O60341 2/20 0.40
CCR5 P51681 1/20 0.38
MAOB P27338 1/20 0.38
TACR1 P25103 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
SCHEMBL5158332 0.88 NPC1 (0.39) MAPTPKMEPHX1KDM1A
SCHEMBL5158974 0.88 MAPT (0.39) MAPTPKMKDM1ATACR1
SCHEMBL6481103 0.86 MAPT (0.40) MAPTPKMEPHX1KDM1ATACR1
SCHEMBL5202490 0.84 HPGD (0.42) MAPTPKMKDM1ACCR5
SCHEMBL5159003 0.79 MAPT (0.46) MAPTPKMKDM1ACCR5MAOB
SCHEMBL6508972 0.76 KMT2A (0.51) EPHX1
SCHEMBL5156709 0.76 MAPT (0.44) MAPTPKMKDM1AMAOBTACR1
SCHEMBL5176933 0.74 MAPT (0.43) MAPTPKMKDM1AMAOBTACR1
SCHEMBL1095613 0.74 MAPT (0.49) MAPTPKMKDM1ACCR5MAOB
SCHEMBL27437633 0.73 EPHX1 (0.56) PKMEPHX1

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 609/4885EPHX1 2585/4885

“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.