SCHEMBL793346

SCHEMBL793346

O=C1c2cc(C(F)(F)F)ccc2CCN1c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.61
CYP11B1 P15538 7/20 0.61
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HTR2B P41595 1/20 0.41
POLB P06746 1/20 0.41
CYP17A1 P05093 2/20 0.41
CCR9 P51686 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL807791 0.83 CYP11B2 (0.45) CYP11B2CYP11B1HTR2AHTR2CPARP1
SCHEMBL793308 0.81 CYP11B2 (0.81) CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL793423 0.80 PARP1 (0.43) CYP11B2CYP11B1HTR2AHTR2CPARP1
SCHEMBL793449 0.79 PARP1 (0.42) CYP11B2CYP11B1HTR2AHTR2CPARP1
SCHEMBL793293 0.78 CYP11B2 (0.61) CYP11B2CYP11B1HTR2AHTR2CKDM4E
SCHEMBL797906 0.77 PARP1 (0.41) CYP11B2CYP11B1HTR2AHTR2CPARP1
SCHEMBL793796 0.77 CYP17A1 (0.58) CYP17A1
SCHEMBL14991688 0.76 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL797558 0.76 HTR2A (0.41) CYP11B2CYP11B1HTR2AHTR2CPARP1
SCHEMBL28057380 0.76 MAPT (0.50) HTR2CKDM4EALDH1A1MAPT

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 11 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
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP claimed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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

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 18/4885HTR2A 3716/4885

“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.