SCHEMBL3709737

SCHEMBL3709737

O=C(O)CC1(C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.67
ITGA4 P13612 14/20 0.67
MME P08473 5/20 0.55
ACE P12821 5/20 0.55
CPA1 P15085 5/20 0.55
ACE2 Q9BYF1 5/20 0.55

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
SCHEMBL3709738 1.00 ITGB1 (0.67) ITGB1ITGA4MMEACECPA1
SCHEMBL7540140 1.00 ITGB1 (0.67) ITGB1ITGA4MMEACECPA1
SCHEMBL3706050 0.88 MMP1 (0.70) ITGB1ITGA4
SCHEMBL3706048 0.88 MMP1 (0.70) ITGB1ITGA4
SCHEMBL7543971 0.87 MMP1 (0.54) ITGB1ITGA4MMEACECPA1
SCHEMBL3707734 0.87 ITGB1 (0.52) ITGB1ITGA4MMEACECPA1
SCHEMBL3707731 0.87 ITGB1 (0.52) ITGB1ITGA4MMEACECPA1
SCHEMBL7546170 0.86 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL1912593 0.85 MMEL1 (0.53) ITGB1ITGA4MME
SCHEMBL7544562 0.85 MMEL1 (0.55) ITGB1ITGA4

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-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2640689-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 ITGB1 4710/4885ITGA4 4568/4885MME 1/4885

“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.