SCHEMBL13995331

SCHEMBL13995331

CC(C)CCNCCc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
NOS1 P29475 3/20 0.51
NOS3 P29474 1/20 0.51
CHRM2 P08172 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
AOC3 Q16853 1/20 0.49
PNMT P11086 1/20 0.49
HDAC1 Q13547 1/20 0.47
SLC2A1 P11166 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
RECQL P46063 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
SCHEMBL13965861 0.85 CHRM2 (0.65) TAAR1CHRM2CYP1A2CYP3A4CYP2D6
SCHEMBL1566434 0.85 TAAR1 (0.62) TAAR1NOS1NOS3CHRM2CYP1A2
SCHEMBL5103603 0.83 PNMT (0.58) TAAR1CHRM2CYP3A4AOC3PNMT
SCHEMBL13911270 0.80 TAAR1 (0.68) TAAR1NOS1NOS3CHRM2CYP1A2
SCHEMBL9967760 0.80 PNMT (0.55) TAAR1CHRM2AOC3PNMTSLC2A1
SCHEMBL10784795 0.79 KCNH2 (0.67) TAAR1
SCHEMBL19352860 0.79 SIGMAR1 (0.62) TAAR1NOS1NOS3CHRM2CYP1A2
SCHEMBL12000669 0.78 TAAR1 (0.66) TAAR1CHRM2AOC3PNMTSLC2A1
SCHEMBL25786628 0.77 PNMT (0.51) TAAR1CHRM2AOC3PNMTSLC2A1
SCHEMBL12652039 0.76 TAAR1 (0.62) TAAR1NOS1NOS3CHRM2CYP1A2

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 6 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
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 TAAR1 632/4885NOS1 2060/4885NOS3 1183/4885

“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.