SCHEMBL3704084

SCHEMBL3704084

O=C(CC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N2CCCC2C(=O)O)CCCC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.53
TSHR P16473 1/20 0.49
ACE2 Q9BYF1 7/20 0.49
LTA4H P09960 2/20 0.48
MME P08473 1/20 0.47
MMEL1 Q495T6 1/20 0.47

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
SCHEMBL3704086 1.00 ACE (0.53) ACETSHRACE2LTA4HMME
SCHEMBL7539217 0.94 ACE (0.51) ACETSHRMMEL1
SCHEMBL6119055 0.94 ACE (0.51) ACETSHRMMEL1
SCHEMBL3695364 0.92 ACE (0.49) ACETSHRACE2LTA4HMME
SCHEMBL3695367 0.92 ACE (0.49) ACETSHRACE2LTA4HMME
SCHEMBL7544573 0.92 ACE (0.49) ACETSHRACE2LTA4HMME
SCHEMBL7537478 0.91 MMEL1 (0.53) ACEACE2MMEL1
SCHEMBL6119582 0.90 MMEL1 (0.57) ACEACE2MMEL1
SCHEMBL7538528 0.90 MMEL1 (0.57) ACEACE2MMEL1
SCHEMBL6119591 0.90 MMEL1 (0.57) ACEACE2MMEL1

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-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

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 ACE 7/4885TSHR 3478/4885ACE2 29/4885

“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.