SCHEMBL3407670

SCHEMBL3407670

CC(C)C(=O)NC1(CC(=O)O)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR1 Q92633 1/20 0.35
MME P08473 2/20 0.33
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 2/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL12156698 0.81 MME (0.44) SMN1; SMN2MMECNR2
SCHEMBL15592838 0.80 CNR2 (0.33) CNR2
SCHEMBL3373260 0.79 CYP2C19 (0.42) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL27608123 0.77 CYP2C19 (0.45) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL3369935 0.77 CYP2C19 (0.45) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL5019821 0.76 CYP2C19 (0.48) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL22349593 0.75 CETP (0.37) MME
SCHEMBL15461462 0.75 CYP2C19 (0.38) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL1825623 0.74 CYP2C19 (0.45) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL22349589 0.74 EPHX2 (0.31)

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-101146530-B 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG 2011-05-18 CN disclosed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
CN-101146530-A 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG (CH) 2008-03-19 CN 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-20080194549-A1 Organic Compounds REN, ACE, OTC CYP2C19 230/4885CYP1A2 497/4885USP2 4135/4885

“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.