SCHEMBL7541630

SCHEMBL7541630

CCCCOC(=O)CC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.48
ITGA4 P13612 5/20 0.48
MMP1 P03956 2/20 0.46
ECE1 P42892 1/20 0.45
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 4/20 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
SCHEMBL7539474 0.91 MMP1 (0.48) ITGB1ITGA4MMP1ECE1CYP3A4
SCHEMBL6128064 0.91 MMP1 (0.48) ITGB1ITGA4MMP1ECE1CYP3A4
SCHEMBL7536909 0.86 ITGB1 (0.40) ITGB1ITGA4ECE1ITGB3ITGA2B
SCHEMBL7541589 0.85 ITGB1 (0.47) ITGB1ITGA4MMP1MMEACE
SCHEMBL7513451 0.85 MMP1 (0.51) ITGB1ITGA4MMP1ECE1CYP3A4
SCHEMBL7540635 0.84 ACE (0.50) ACEACE2
SCHEMBL3697828 0.82 HDAC1 (0.50) ITGB1ITGA4MMP1ALDH1A1HDAC1
SCHEMBL3697832 0.82 HDAC1 (0.50) ITGB1ITGA4MMP1ALDH1A1HDAC1
SCHEMBL7537880 0.81 ACE (0.52) ACEACE2
SCHEMBL3701862 0.80 ITGA4 (0.56) ITGB1ITGA4MMEACECPA1

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 ITGB1 4710/4885ITGA4 4568/4885MMP1 1708/4885

“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.