SCHEMBL5899767

SCHEMBL5899767

NCC1(C(=O)O)CC12CCCCCCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.38
CPB2 Q96IY4 5/20 0.33
FFAR3 O14843 1/20 0.31

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
SCHEMBL5899602 1.00 USP2 (0.44) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5899580 1.00 USP2 (0.44) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL5644052 0.98 USP2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5643708 0.98 USP2 (0.41) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5899689 0.94 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5899588 0.76 CYP1A2 (0.45) CYP1A2
SCHEMBL5899681 0.74 POLB (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5899695 0.73 GRM2 (0.34) FFAR3
Hydrochloric Acid SCHEMBL5899693 0.73 POLB (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL9566456 0.73 ARG1 (0.35)

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 6 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 claimed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP claimed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 US claimed
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 USP2 3632/4885ALDH1A1 1295/4885LMNA 3359/4885

“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.