SCHEMBL5899659

SCHEMBL5899659

NCC1(C(=O)O)CC1CCc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
PPIA P62937 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
CPB2 Q96IY4 1/20 0.35
MAOB P27338 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAOA P21397 1/20 0.35
AOC3 Q16853 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5899805 0.90 FFAR4 (0.36) TAAR1MAOB
SCHEMBL5899706 0.86 TAAR1 (0.39) TAAR1PPIACPB2MAOBALDH1A1
SCHEMBL5899760 0.85 TAAR1 (0.34) TAAR1CPB2MAOBKMT2AKDM4E
SCHEMBL5899748 0.84 DPP4 (0.36) ALDH1A1
SCHEMBL5899802 0.81 SLC1A2 (0.42) TAAR1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5899736 0.78 FFAR4 (0.37) CPB2ALDH1A1MEN1KMT2A
SCHEMBL5899598 0.78 TAAR1 (0.40) TAAR1MAOBMAOAAOC3NPC1
SCHEMBL5899766 0.76 TAAR1 (0.45) TAAR1PTGER1PTGFRMAOBMAOA
SCHEMBL5899618 0.76 EPHX1 (0.35) TAAR1MAOBKMT2AKDM4ENPC1
SCHEMBL5899599 0.75 FFAR4 (0.33)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1764634-A Cyclopropyl beta-amino acid derivatives WARNER LAMBERT CO (US) 2006-04-26 CN disclosed
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US disclosed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 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-20040147608-A1 Cyclopropyl beta-amino acid derivatives CACNA1S, CACNA1D, CACNA1B TAAR1 611/4885PPIA 1016/4885PTGER1 704/4885

“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.