SCHEMBL10000118

SCHEMBL10000118

c1ccc(C(c2cnc[nH]2)c2cccc3cnccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.53
ADRA2B P18089 11/20 0.53
ADRA2C P18825 11/20 0.53
ADRA1A P35348 7/20 0.53
ADRA1B P35368 6/20 0.53
ADRA1D P25100 5/20 0.53
TRPV1 Q8NER1 2/20 0.43
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
SLC6A2 P23975 3/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL10000099 0.90 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL701285 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL700313 0.78 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10000114 0.77 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3065262 0.77 SLC6A2 (0.59) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1638361 0.75 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10000104 0.74 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3070057 0.74 SLC6A2 (0.65) ADRA2AADRA2BADRA2CCYP3A4CYP2D6
SCHEMBL1638482 0.74 CYP19A1 (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1637486 0.74 ADRA2A (0.67) 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.