SCHEMBL13995693

SCHEMBL13995693

CC(C)C[C@@H](C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2A P28223 2/20 0.50
ADRA1A P35348 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A4 P31645 1/20 0.50
OPRK1 P41145 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TSHR P16473 6/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
ESR1 P03372 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 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
SCHEMBL13995692 1.00 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL13995599 0.82 ADRA2B (0.69) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL13995597 0.82 ADRA2B (0.69) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL13995227 0.82 ADRA2B (0.69) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL2943663 0.81 SIGMAR1 (0.71) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL18379386 0.81 ADRA2B (0.52) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL14500990 0.81 ADRA2B (0.52) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL11238622 0.80 LMNA (0.46) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL6054336 0.79 TSHR (0.51) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL13541459 0.79 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2AADRA1A

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 3 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

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 ADRA2B 196/4885ADRA2C 372/4885SLC6A2 428/4885

“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.