SCHEMBL793293

SCHEMBL793293

CC1Cc2ccc(C(F)(F)F)cc2C(=O)N1c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.61
CYP11B1 P15538 7/20 0.45
GRM2 Q14416 2/20 0.45
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 1/20 0.42
CCR9 P51686 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 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
SCHEMBL793794 0.81 HTR2A (0.41) CYP11B2GRM2HTR2AHTR2CHTR2B
SCHEMBL15467559 0.81 HTR2A (0.41) CYP11B2GRM2HTR2AHTR2CHTR2B
SCHEMBL793346 0.78 CYP11B2 (0.61) CYP11B2CYP11B1GRM2HTR2AHTR2C
SCHEMBL14991999 0.76 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL14991998 0.76 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL14992240 0.76 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL14995372 0.71 CYP11B2 (0.50) CYP11B2CYP11B1HTT
SCHEMBL14991538 0.70 CYP11B2 (0.63) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL27919623 0.67 HTR2A (0.44) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL21132327 0.65 ACHE (0.63) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US claimed
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
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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 CYP11B2 30/4885CYP11B1 18/4885GRM2 4033/4885

“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.