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SCHEMBL3696928

SCHEMBL3696928

Cc1cccc(-c2ccc(C[C@H](NC(=O)OC(C)(C)C)c3nnn[nH]3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 7/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ HPGD P15428 6/20 0.50
▸ HTT P42858 6/20 0.50
▸ LMNA P02545 5/20 0.50
▸ JAK2 O60674 4/20 0.50
▸ PKM P14618 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CTSS P25774 2/20 0.44
▸ CTSK P43235 2/20 0.44
▸ PTPRB P23467 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ XBP1 P17861 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALOX15 P16050 1/20 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
SCHEMBL3693517 0.90 CTSS (0.53) NPSR1ALDH1A1HPGDHTTLMNA
SCHEMBL3693514 0.90 CTSS (0.53) NPSR1ALDH1A1HPGDHTTLMNA
SCHEMBL3697968 0.90 CTSL (0.45) NPSR1ALDH1A1HPGDHTTLMNA
SCHEMBL3697969 0.90 CTSL (0.45) NPSR1ALDH1A1HPGDHTTLMNA
SCHEMBL6791477 0.83 ALDH1A1 (0.58) NPSR1ALDH1A1HPGDHTTLMNA
SCHEMBL3704550 0.78 ACE (0.60) CTSSCTSKCTSBMMEPPARG
SCHEMBL3704551 0.78 ACE (0.60) CTSSCTSKCTSBMMEPPARG
SCHEMBL3696881 0.77 MME (0.43) KMT2AMMEPPARGPPARA
SCHEMBL3701267 0.77 MME (0.43) KMT2AMMEPPARGPPARA
SCHEMBL15697424 0.76 ALDH1A1 (0.41) NPSR1ALDH1A1HPGDHTTLMNA

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 8 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
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 NPSR1 111/4885ALDH1A1 675/4885HPGD 2124/4885

“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.