SCHEMBL5158964

SCHEMBL5158964

CC(C(N)=O)(c1cccc(C(=O)c2ccccc2)c1)C1CCNCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TACR1 P25103 3/20 0.39
SRD5A2 P31213 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
PBRM1 Q86U86 1/20 0.35
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL5161360 0.88 MAPT (0.46) MAPTPKMTACR1FPR1FPR2
SCHEMBL5202478 0.79 HPGDS (0.41) MAPTPKMTACR1
SCHEMBL5158315 0.77 NPC1 (0.42) MAPTPKMTACR1FPR1FPR2
SCHEMBL6481099 0.77 MAPT (0.42) MAPTPKMTACR1FPR1FPR2
SCHEMBL6493780 0.74 MAPK1 (0.36) MAPTPKMTACR1
SCHEMBL5161856 0.73 MAPT (0.49) MAPTPKMTACR1FPR1FPR2
SCHEMBL5161841 0.73 MAPT (0.44) MAPTPKMTACR1FPR1FPR2
SCHEMBL6482543 0.73 MAPT (0.41) MAPTPKMTACR1FPR1FPR2
SCHEMBL5176921 0.71 MAPT (0.44) MAPTPKMTACR1FPR1FPR2
SCHEMBL5158989 0.71 MAPT (0.47) MAPTPKMTACR1FPR1FPR2

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 609/4885TACR1 2/4885

“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.