SCHEMBL10000124

SCHEMBL10000124

Oc1cc(C(c2ccccc2)c2cnc[nH]2)c2c(F)ccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.34
ADRA2A P08913 4/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
CPB2 Q96IY4 2/20 0.32
CPA1 P15085 1/20 0.32
HRH3 Q9Y5N1 2/20 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
SCHEMBL10316482 0.84 CYP19A1 (0.38) CYP19A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10000116 0.81 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1638482 0.70 CYP19A1 (0.46) CYP19A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL700313 0.69 ADRA2A (0.49) CYP19A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3055369 0.68 CYP19A1 (0.44) CYP19A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3065262 0.67 SLC6A2 (0.59) CYP19A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1639415 0.67 CYP19A1 (0.55) CYP19A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3060612 0.66 SLC6A2 (0.46) CYP19A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3066082 0.66 SLC6A2 (0.62) CPA1HRH3
SCHEMBL1639638 0.66 IDO1 (0.47) CYP19A1ADRA2AADRA2BADRA2CADRA1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.