SCHEMBL10000119

SCHEMBL10000119

CCCCc1cc(C(c2ccccc2)c2cnc[nH]2)c2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.38
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
HRH1 P35367 7/20 0.35
KCNH2 Q12809 7/20 0.35
ADRA1A P35348 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 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 0.82 SLC40A1 (0.43) CYP19A1ADRA2AADRA2BADRA2CHSP90AA1
SCHEMBL10000112 0.81 ADRA2A (0.48) ADRA2AADRA2BADRA2CKCNH2ADRA1A
SCHEMBL701285 0.78 ADRA2A (0.47) ADRA2AADRA2BADRA2CKCNH2ADRA1A
SCHEMBL3021830 0.70 ADRA2A (0.43) ADRA2AADRA2BADRA2CKMT2AKCNH2
SCHEMBL10000103 0.69 ADRA2A (0.40) ADRA2AADRA2BADRA2CKMT2AKCNH2
SCHEMBL13247008 0.69 ADRA2A (0.49) ADRA2AADRA2BADRA2CHSP90AA1KCNH2
SCHEMBL10000102 0.68 ADRA2A (0.38) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3017476 0.67 ADRA2A (0.47) ADRA2AADRA2BADRA2CKMT2AKCNH2
SCHEMBL1148845 0.67 HRH1 (0.44) HRH1KCNH2
SCHEMBL7449814 0.67 HRH1 (0.44) HRH1KCNH2

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 CYP19A1 2987/4885ADRA2A 905/4885ADRA2B 1168/4885

“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.