SCHEMBL793672

SCHEMBL793672

Cc1ccncc1N1CCc2ccc(C(F)(F)F)c(F)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.35
HTR2B P41595 3/20 0.35
CYP1A2 P05177 5/20 0.35
HTR2A P28223 5/20 0.35
CYP11B2 P19099 6/20 0.34
P2RX7 Q99572 3/20 0.34
C5AR1 P21730 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP17A1 P05093 2/20 0.33
CYP11B1 P15538 2/20 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
SCHEMBL793597 0.90 CYP11B2 (0.38) HTR2CHTR2ACYP11B2CYP17A1CYP11B1
SCHEMBL15471806 0.87 OPRM1 (0.36) HTR2CHTR2BCYP1A2HTR2ACYP11B2
SCHEMBL793691 0.84 P2RX7 (0.40) HTR2CHTR2BCYP1A2HTR2ACYP11B2
SCHEMBL798873 0.80 CYP11B2 (0.39) HTR2CHTR2ACYP11B2P2RX7CYP17A1
SCHEMBL793449 0.76 PARP1 (0.42) HTR2CHTR2BHTR2ACYP11B2P2RX7
SCHEMBL15471852 0.76 CYP11B2 (0.46) HTR2CHTR2BCYP1A2HTR2ACYP11B2
SCHEMBL15467685 0.76 CYP17A1 (0.35) CYP11B2P2RX7C5AR1CYP17A1CYP11B1
SCHEMBL793787 0.75 CYP11B2 (0.35) HTR2BCYP11B2CYP17A1CYP11B1
SCHEMBL793461 0.74 CYP11B2 (0.43) HTR2CHTR2BHTR2ACYP11B2CYP17A1
SCHEMBL798072 0.74 CBLB (0.40) HTR2CHTR2BP2RX7GPBAR1

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 HTR2C 2446/4885HTR2B 3184/4885CYP1A2 49/4885

“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.