SCHEMBL807963

SCHEMBL807963

Cc1ccncc1N1CCc2c(Cl)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.40
GRM5 P41594 3/20 0.40
CYP11B2 P19099 5/20 0.39
CYP11B1 P15538 4/20 0.38
DHPS P49366 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CYP19A1 P11511 2/20 0.38
P2RX7 Q99572 3/20 0.37
CYP17A1 P05093 2/20 0.36
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL807967 0.83 GRM5 (0.44) GRM1GRM5CYP19A1
SCHEMBL798072 0.82 CBLB (0.40) GRM1GRM5HTR2CP2RX7NOTUM
SCHEMBL798870 0.80 CYP11B2 (0.47) GRM1CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL15467173 0.79 CYP11B2 (0.52) GRM1CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL807995 0.77 CYP11B2 (0.42) CYP11B2CYP11B1P2RX7
SCHEMBL807907 0.77 CYP11B2 (0.43) CYP11B2CYP11B1HTR2AHTR2CCYP17A1
SCHEMBL793377 0.76 CYP11B2 (0.51) GRM1CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL793750 0.75 CYP11B2 (0.46) GRM1CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL807910 0.75 CYP11B2 (0.59) CYP11B2CYP11B1HTR2AHTR2CP2RX7
SCHEMBL798105 0.75 CYP11B2 (0.43) GRM1CYP11B2CYP11B1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 GRM1 2889/4885GRM5 3402/4885CYP11B2 30/4885

“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.