SCHEMBL5899681

SCHEMBL5899681

CCOC(=O)C1(CN)CC12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32
F10 P00742 1/20 0.32
KDM4E B2RXH2 3/20 0.31
OPRM1 P35372 3/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL5899693 0.98 POLB (0.34) POLBSMN1; SMN2ALDH1A1CYP1A2USP2
SCHEMBL5644887 0.81 NPSR1 (0.40) SMN1; SMN2ALDH1A1CYP1A2USP2LMNA
SCHEMBL2123 0.75 CYP1A2 (0.38) POLBSMN1; SMN2ALDH1A1CYP1A2USP2
SCHEMBL16838736 0.75 CYP1A2 (0.38) POLBSMN1; SMN2ALDH1A1CYP1A2USP2
SCHEMBL5899767 0.74 USP2 (0.44) SMN1; SMN2ALDH1A1CYP1A2USP2LMNA
SCHEMBL5899580 0.74 USP2 (0.44) SMN1; SMN2ALDH1A1CYP1A2USP2LMNA
SCHEMBL5899602 0.74 USP2 (0.44) SMN1; SMN2ALDH1A1CYP1A2USP2LMNA
Hydrochloric Acid SCHEMBL5616975 0.74 CYP1A2 (0.37) POLBSMN1; SMN2ALDH1A1CYP1A2USP2
SCHEMBL2079 0.73 CYP1A2 (0.39) POLBSMN1; SMN2ALDH1A1CYP1A2USP2
Hydrochloric Acid SCHEMBL5644052 0.73 USP2 (0.42) SMN1; SMN2ALDH1A1CYP1A2USP2LMNA

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-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 POLB 4606/4885SMN1; SMN2 627/4885ALDH1A1 1295/4885

“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.