SCHEMBL10000102

SCHEMBL10000102

Sc1ccc(C(c2ccccc2)c2cnc[nH]2)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.38
ADRA2B P18089 7/20 0.38
ADRA2C P18825 7/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1B P35368 3/20 0.38
HRH3 Q9Y5N1 4/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
PSMD14 O00487 1/20 0.34
COPS5 Q92905 1/20 0.34
IDO1 P14902 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.32

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
SCHEMBL701285 0.80 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10000121 0.79 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL700313 0.77 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10000123 0.76 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10000116 0.73 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10000109 0.73 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL10000112 0.72 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13246986 0.72 HRH3 (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL3066082 0.72 SLC6A2 (0.62) HRH3SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL10000115 0.72 SLC40A1 (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D

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.