SCHEMBL797817

SCHEMBL797817

COC(OC)c1ccncc1N1CCc2ccc(C(F)(F)F)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.39
CYP19A1 P11511 3/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
HTR2C P28335 4/20 0.38
HTR2A P28223 3/20 0.38
HTR2B P41595 1/20 0.37
CYP17A1 P05093 3/20 0.37
CYP11B1 P15538 6/20 0.36
NOTUM Q6P988 1/20 0.34
CYP1A2 P05177 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL10286001 0.92 CYP11B2 (0.35) CYP11B2CYP19A1PARP1PARP10HTR2C
SCHEMBL793449 0.84 PARP1 (0.42) CYP11B2CYP19A1PARP1PARP10HTR2C
SCHEMBL793423 0.83 PARP1 (0.43) CYP11B2CYP19A1PARP1PARP10HTR2C
SCHEMBL797906 0.80 PARP1 (0.41) CYP11B2CYP19A1PARP1PARP10HTR2C
SCHEMBL793796 0.79 CYP17A1 (0.58) CYP17A1
SCHEMBL14991657 0.78 CYP11B2 (0.57) CYP11B2CYP11B1
SCHEMBL807977 0.77 MAOA (0.41) CYP11B2CYP19A1PARP1PARP10HTR2C
SCHEMBL793461 0.75 CYP11B2 (0.43) CYP11B2CYP19A1HTR2CHTR2AHTR2B
SCHEMBL793346 0.75 CYP11B2 (0.61) CYP11B2PARP1PARP10HTR2CHTR2A
SCHEMBL793438 0.75 CYP17A1 (0.38) CYP11B2CYP19A1PARP1PARP10HTR2C

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 8 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
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 30/4885CYP19A1 19/4885PARP1 2549/4885

“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.