SCHEMBL683539

SCHEMBL683539

NCCCC[C@H](N[C@@H](CCc1c[nH]c2ccccc12)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.72
▸ CYP2C19 P33261 1/20 0.48
▸ DPP3 Q9NY33 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ NTSR2 O95665 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ DPP4 P27487 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL7332314 1.00 ACE (0.72) ACECYP2C19DPP3BCHENTSR2
SCHEMBL7332773 0.93 ACE (0.66) ACECYP2C19DPP3BCHENTSR2
SCHEMBL683545 0.91 ACE (0.60) ACECYP2C19DPP3BCHELMNA
SCHEMBL11256646 0.89 ACE (0.56) ACECYP2C19DPP3BCHEDPP4
SCHEMBL10781418 0.86 ACE (0.64) ACECYP2C19DPP3BCHENTSR2
SCHEMBL7326949 0.86 ACE (0.79) ACELMNA
SCHEMBL7321737 0.85 ACE (0.70) ACECYP2C19DPP3BCHELMNA
SCHEMBL11254282 0.85 ACE (0.51) ACECYP2C19DPP3BCHELMNA
Lisinopril Anhydrous SCHEMBL24062681 0.84 ACE (1.00) ACELMNA
Lisinopril Anhydrous SCHEMBL15680 0.84 ACE (1.00) ACELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 — — US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 — — US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 — — 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 (2 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ACE 4514/4885CYP2C19 4864/4885DPP3 1265/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885CYP2C19 4575/4885DPP3 93/4885

“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.

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