SCHEMBL10000112

SCHEMBL10000112

CC(C)c1cc(C(c2ccccc2)c2cnc[nH]2)c2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.48
ADRA2B P18089 10/20 0.48
ADRA2C P18825 10/20 0.48
ADRA1A P35348 7/20 0.41
ADRA1B P35368 6/20 0.41
ADRA1D P25100 5/20 0.41
PDE4B Q07343 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL10000115 0.84 SLC40A1 (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL701285 0.83 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10000119 0.81 CYP19A1 (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3021830 0.75 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL12789731 0.74 TDP1 (0.53) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL10000103 0.74 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13247008 0.73 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10000108 0.73 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10000102 0.72 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3017476 0.71 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1B

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
EP-2160386-B1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERGAN INC (US) 2012-07-11 EP disclosed
US-8124774-B2 Therapeutic ((phenyl)imidazolyl)methylquinolinyl compounds ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-8124774-B2 Therapeutic ((phenyl)imidazolyl)methylquinolinyl compounds ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERDAN, INC. (US) 2010-08-05 US disclosed
US-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERDAN, INC. (US) 2010-08-05 US disclosed
WO-2008147788-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERGAN, INC. (US) 2008-12-04 WO 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-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS GOT2, COQ8A, OAT ADRA2A 905/4885ADRA2B 1168/4885ADRA2C 429/4885

“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.