SCHEMBL7546737

SCHEMBL7546737

CCCCOC(=O)CC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N2CCC[C@@H]2C(=O)OCCCC)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.51
ACE2 Q9BYF1 2/20 0.51
FKBP1A P62942 10/20 0.45
MMEL1 Q495T6 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
PIN1 Q13526 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7544383 1.00 ACE (0.51) ACEACE2FKBP1AMMEL1ITGB1
SCHEMBL7540635 0.95 ACE (0.50) ACEACE2FKBP1AMMEL1
SCHEMBL7537880 0.93 ACE (0.52) ACEACE2FKBP1AMMEL1
SCHEMBL8739522 0.90 ACE (0.49) ACEACE2FKBP1AMMEL1
SCHEMBL6119591 0.88 MMEL1 (0.57) ACEACE2FKBP1AMMEL1
SCHEMBL7538528 0.88 MMEL1 (0.57) ACEACE2FKBP1AMMEL1
SCHEMBL6119582 0.88 MMEL1 (0.57) ACEACE2FKBP1AMMEL1
SCHEMBL7537478 0.88 MMEL1 (0.53) ACEACE2FKBP1AMMEL1
SCHEMBL7539217 0.87 ACE (0.51) ACEFKBP1AMMEL1TSHR
SCHEMBL6119055 0.87 ACE (0.51) ACEFKBP1AMMEL1TSHR

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 2 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-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 7/4885ACE2 29/4885FKBP1A 3240/4885

“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.