SCHEMBL793438

SCHEMBL793438

O=C1c2cc(C(F)(F)F)ccc2CCN1c1cnccc1CNC1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CYP11B2 P19099 4/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 3/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
GRM2 Q14416 1/20 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
SCHEMBL807977 0.83 MAOA (0.41) CYP17A1HTR2AHTR2CHTR2BPARP1
SCHEMBL793796 0.80 CYP17A1 (0.58) CYP17A1
SCHEMBL793423 0.80 PARP1 (0.43) CYP17A1HTR2AHTR2CHTR2BPARP1
SCHEMBL793449 0.79 PARP1 (0.42) CYP17A1HTR2AHTR2CHTR2BPARP1
SCHEMBL27919519 0.78 KDM4C (0.39) CYP17A1HTR2AHTR2CKDM4CTRPM8
SCHEMBL797906 0.77 PARP1 (0.41) CYP17A1HTR2AHTR2CHTR2BPARP1
SCHEMBL797817 0.75 CYP11B2 (0.39) CYP17A1HTR2AHTR2CHTR2BPARP1
SCHEMBL793346 0.72 CYP11B2 (0.61) CYP17A1HTR2AHTR2CHTR2BPARP1
SCHEMBL798056 0.71 CYP11B1 (0.47) HTR2AHTR2CHTR2BPARP1PARP10
SCHEMBL793461 0.70 CYP11B2 (0.43) CYP17A1HTR2AHTR2CHTR2BCYP11B2

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 CYP17A1 1/4885HTR2A 3716/4885HTR2C 2446/4885

“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.