SCHEMBL5899786

SCHEMBL5899786

NCC1(C(=O)O)CC1CCCOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
TEAD3 Q99594 2/20 0.39
CPB2 Q96IY4 1/20 0.38
SPHK1 Q9NYA1 2/20 0.38
NAAA Q02083 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.36
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
AGTR2 P50052 1/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL5899630 0.92 EPHX2 (0.42) EPHX2TEAD3HTTSMN1; SMN2AGTR2
SCHEMBL5899789 0.84 TSHR (0.39) EPHX2CPB2DPP4AGTR2TSHR
SCHEMBL5899802 0.79 SLC1A2 (0.42) SMN1; SMN2ARG1ARG2
SCHEMBL5899749 0.76 SLC6A4 (0.40) CPB2
SCHEMBL5899794 0.76 TAAR1 (0.43) EPHX2TEAD3SMN1; SMN2TSHR
SCHEMBL5899569 0.75 ALDH1A1 (0.34) EPHX2ARG1ARG2
SCHEMBL31746219 0.70 EPHX2 (0.49) EPHX2TEAD3SPHK1GBA1UGCG
SCHEMBL5899733 0.70 EPHX2 (0.41) EPHX2TEAD3CPB2SPHK1NAAA
SCHEMBL23533304 0.70 EPHX2 (0.48) EPHX2SPHK1GBA1UGCGGBA2
SCHEMBL23533388 0.70 EPHX2 (0.48) EPHX2SPHK1GBA1UGCGGBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US 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 EPHX2 2475/4885TEAD3 2393/4885CPB2 1956/4885

“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.