SCHEMBL3694685

SCHEMBL3694685

C=C(Cl)CC1(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)c2nnn(C)n2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.40
ITGA4 P13612 12/20 0.40
MMP1 P03956 1/20 0.39
NPC1 O15118 1/20 0.38
FPR2 P25090 1/20 0.36
MME P08473 3/20 0.36
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL3694682 1.00 ITGB1 (0.40) ITGB1ITGA4MMP1NPC1FPR2
SCHEMBL3699576 0.92 ITGB1 (0.41) ITGB1ITGA4MMP1NPC1MME
SCHEMBL3699574 0.92 ITGB1 (0.41) ITGB1ITGA4MMP1NPC1MME
SCHEMBL3699803 0.84 ITGB1 (0.46) ITGB1ITGA4MMP1MME
SCHEMBL3699806 0.84 ITGB1 (0.46) ITGB1ITGA4MMP1MME
SCHEMBL16214799 0.79 ITGB1 (0.39) ITGB1ITGA4MMP1MME
SCHEMBL3698358 0.76 MMP1 (0.66) ITGB1ITGA4MMP1MMEACE
SCHEMBL3698356 0.76 MMP1 (0.66) ITGB1ITGA4MMP1MMEACE
SCHEMBL3695426 0.76 ITGB1 (0.46) ITGB1ITGA4MMP1
SCHEMBL3695423 0.76 ITGB1 (0.46) ITGB1ITGA4MMP1

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 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.