SCHEMBL13995129

SCHEMBL13995129

CC(C)C[C@@H](N)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 5/20 0.51
ERAP2 Q6P179 4/20 0.51
IL1RN P18510 2/20 0.51
ANPEP P15144 3/20 0.50
EPHX1 P07099 1/20 0.50
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
AOC3 Q16853 2/20 0.46
LNPEP Q9UIQ6 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL9408790 1.00 ERAP1 (0.51) ERAP1ERAP2IL1RNANPEPEPHX1
SCHEMBL9367442 0.88 SLC6A2 (0.52) ERAP1ERAP2ANPEPEPHX1SLC6A2
SCHEMBL4895850 0.83 EPHX1 (0.56) ERAP1ERAP2ANPEPEPHX1SLC6A2
SCHEMBL12193965 0.81 EPHX1 (0.70) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL11769571 0.81 EPHX1 (0.70) ERAP1ERAP2ANPEPEPHX1SLC6A2
SCHEMBL13995055 0.81 EPHX1 (0.70) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL170713 0.81 EPHX1 (0.70) ANPEPEPHX1SLC6A2TAAR1MAOA
SCHEMBL13452965 0.79 ANPEP (0.48) ERAP1ERAP2ANPEPEPHX1SLC6A2
SCHEMBL1148969 0.79 ANPEP (0.48) ERAP1ERAP2ANPEPEPHX1SLC6A2
SCHEMBL4323451 0.79 ANPEP (0.48) ERAP1ERAP2ANPEPEPHX1SLC6A2

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-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ERAP1 1384/4885ERAP2 1380/4885IL1RN 470/4885

“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.