SCHEMBL5159003

SCHEMBL5159003

NC(=O)C(CC1CCNCC1c1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
KDM1A O60341 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TACR1 P25103 2/20 0.36
CCR5 P51681 1/20 0.36
MAOB P27338 1/20 0.36

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 0.79 MAPT (0.45) MAPTPKMKDM1ATACR1CCR5
SCHEMBL1095613 0.72 MAPT (0.49) MAPTPKMKDM1ASLC6A2SLC6A4
SCHEMBL5158974 0.71 MAPT (0.39) MAPTPKMKDM1ATACR1
SCHEMBL5158332 0.71 NPC1 (0.39) MAPTPKMKDM1ASLC6A2SLC6A4
SCHEMBL6481103 0.70 MAPT (0.40) MAPTPKMKDM1ATACR1
SCHEMBL28402829 0.69 MAPT (0.52) MAPTPKMKDM1ASLC6A2SLC6A4
SCHEMBL5156709 0.68 MAPT (0.44) MAPTPKMKDM1ATACR1MAOB
SCHEMBL5158989 0.68 MAPT (0.47) MAPTPKMKDM1ASLC6A2SLC6A4
SCHEMBL5158998 0.68 SSTR4 (0.53) MAPTPKMKDM1A
SCHEMBL5176933 0.67 MAPT (0.43) MAPTPKMKDM1ATACR1MAOB

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 609/4885KDM1A 2484/4885

“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.