Sugi Predict

Sugi Predict / Compounds / SCHEMBL3697349

SCHEMBL3697349

SCHEMBL3697349

CC(C)(C)OC(=O)C(CN)Cc1ccc(-c2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.40
▸ UGT1A1 P22309 2/20 0.40
▸ NR1I2 O75469 2/20 0.40
▸ MLNR O43193 1/20 0.40
▸ SLCO2B1 O94956 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CCKAR P32238 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39

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
SCHEMBL7507516 0.81 DPP4 (0.41) PPARGDPP4TRPV1UGT1A1NR1I2
SCHEMBL3694246 0.81 CTSS (0.43) PPARGDPP4TRPV1UGT1A1NR1I2
SCHEMBL5028161 0.76 CTSS (0.53) —
SCHEMBL6163430 0.76 CTSS (0.53) UGT1A1NR1I2MLNRSLCO2B1ABCB11
SCHEMBL27354055 0.76 CTSS (0.53) UGT1A1NR1I2MLNRSLCO2B1ABCB11
SCHEMBL9107541 0.76 CTSS (0.53) —
SCHEMBL893519 0.76 TRPV1 (0.41) TRPV1UGT1A1NR1I2MLNRSLCO2B1
SCHEMBL2307387 0.75 ACE (0.58) PPARG
SCHEMBL2307394 0.75 ACE (0.58) PPARG
SCHEMBL3728427 0.75 ACE (0.58) PPARG

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 9 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-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 — — US disclosed
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
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
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 — — 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 PPARG 2452/4885DPP4 239/4885TRPV1 1344/4885

“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.