SCHEMBL3369935

SCHEMBL3369935

CC(=O)NC1(CC(=O)O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.36
HTT P42858 2/20 0.36
HSD11B1 P28845 2/20 0.35
MAPK1 P28482 1/20 0.34
LPAR1 Q92633 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ADRB2 P07550 2/20 0.33
KMT2A Q03164 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL27608123 1.00 CYP2C19 (0.45) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3373260 0.98 CYP2C19 (0.42) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL5019821 0.83 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL5220339 0.79 HTT (0.38) CYP2C19ALDH1A1LMNASMN1; SMN2P2RX7
SCHEMBL15798070 0.79 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
Hydrochloric Acid SCHEMBL27856474 0.78 CYP2C19 (0.47) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL15823888 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL3407670 0.77 CYP2C19 (0.38) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL976812 0.77 MME (0.44) ALDH1A1P2RX7HTTMME
SCHEMBL1825623 0.77 CYP2C19 (0.45) CYP2C19ALDH1A1CYP1A2USP2LMNA

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
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
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO 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 230/4885ALDH1A1 224/4885CYP1A2 497/4885

“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.