SCHEMBL7515055

SCHEMBL7515055

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnnn1CC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.56
CTSK P43235 7/20 0.56
GHSR Q92847 4/20 0.56
CTSB P07858 3/20 0.49
CTSL P07711 1/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
AGTR1 P30556 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
XBP1 P17861 1/20 0.45

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
SCHEMBL8921747 0.91 GHSR (0.58) CTSSCTSKGHSRCTSBCTSL
SCHEMBL8920614 0.91 GHSR (0.58) CTSSCTSKGHSRCTSBCTSL
SCHEMBL3708374 0.84 CTSS (0.52) CTSSCTSKCTSBCTSLALDH1A1
SCHEMBL3708373 0.84 CTSS (0.52) CTSSCTSKCTSBCTSLALDH1A1
SCHEMBL3696061 0.84 GHSR (0.49) CTSSCTSKGHSRCTSBCTSL
SCHEMBL3696059 0.84 GHSR (0.49) CTSSCTSKGHSRCTSBCTSL
SCHEMBL8920617 0.76 CTSS (0.48) CTSSCTSKGHSRCTSBCTSL
SCHEMBL7976216 0.75 GHSR (0.48) CTSSCTSKGHSRCTSBALDH1A1
SCHEMBL7976208 0.75 GHSR (0.48) CTSSCTSKGHSRCTSBALDH1A1
SCHEMBL3702760 0.75 CTSS (0.52) CTSSCTSKCTSBCTSLALDH1A1

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
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
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 CTSS 357/4885CTSK 252/4885GHSR 1833/4885

“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.