SCHEMBL3699803

SCHEMBL3699803

C=C(Cl)CC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)c2nnnn2C)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.46
ITGA4 P13612 13/20 0.46
MMP1 P03956 1/20 0.39
MMEL1 Q495T6 1/20 0.38
TACR1 P25103 1/20 0.37
MME P08473 3/20 0.35
ITGB7 P26010 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
SCHEMBL3699806 1.00 ITGB1 (0.46) ITGB1ITGA4MMP1MMEL1TACR1
SCHEMBL3695423 0.92 ITGB1 (0.46) ITGB1ITGA4MMP1MMEL1TACR1
SCHEMBL3695426 0.92 ITGB1 (0.46) ITGB1ITGA4MMP1MMEL1TACR1
SCHEMBL6119336 0.89 ITGA4 (0.41) ITGB1ITGA4MMP1TACR1MME
SCHEMBL3694685 0.84 ITGB1 (0.40) ITGB1ITGA4MMP1MME
SCHEMBL3694682 0.84 ITGB1 (0.40) ITGB1ITGA4MMP1MME
SCHEMBL16214799 0.80 ITGB1 (0.39) ITGB1ITGA4MMP1MMEL1MME
SCHEMBL3696047 0.77 GHSR (0.47) ITGB1ITGA4TACR1
SCHEMBL3698358 0.76 MMP1 (0.66) ITGB1ITGA4MMP1MME
SCHEMBL3698356 0.76 MMP1 (0.66) ITGB1ITGA4MMP1MME

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.