SCHEMBL13995787

SCHEMBL13995787

CC(C)C[C@H](C)NCc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
ANPEP P15144 1/20 0.49
CASR P41180 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL19772457 0.84 LMNA (0.68) LMNACASRNPC1RAB9ACHRM2
Clobenzorex SCHEMBL31080692 0.83 LMNA (1.00) LMNAPOLBMAPK1ATML3MBTL1
Clobenzorex SCHEMBL26720 0.83 LMNA (1.00) LMNAPOLBMAPK1ATML3MBTL1
SCHEMBL2471237 0.81 LMNA (0.64) LMNACASRNPC1RAB9ACHRM2
SCHEMBL19954177 0.81 LMNA (0.64) LMNACASRNPC1RAB9ACHRM2
Clobenzorex SCHEMBL1649957 0.80 LMNA (0.94) LMNAPOLBMAPK1ATML3MBTL1
SCHEMBL13995685 0.80 KDM4E (0.55) LMNACHRM2ALDH1A1POLBMAPK1
SCHEMBL13995868 0.79 POLB (0.69) LMNAALDH1A1POLBMAPK1SLC6A4
SCHEMBL21800067 0.79 LMNA (0.45) LMNAALDH1A1POLBMAPK1ATM
SCHEMBL13995964 0.79 POLB (0.69) LMNAALDH1A1POLBMAPK1SLC6A4

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 5 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-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-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

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 LMNA 3749/4885ANPEP 666/4885CASR 683/4885

“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.