SCHEMBL807791

SCHEMBL807791

O=C1c2cc(C(F)(F)F)ccc2CCN1c1cncc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.45
CYP11B1 P15538 11/20 0.45
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP19A1 P11511 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
SCHEMBL798866 0.91 CYP11B2 (0.47) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL793346 0.83 CYP11B2 (0.61) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL31745693 0.77 CYP11B2 (0.38) CYP11B2CYP11B1CYP19A1
SCHEMBL797558 0.76 HTR2A (0.41) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL14991865 0.76 CYP11B2 (0.68) CYP11B2CYP11B1
SCHEMBL793423 0.75 PARP1 (0.43) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL798056 0.75 CYP11B1 (0.47) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL793449 0.74 PARP1 (0.42) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL28057343 0.74 BCAT2 (0.44) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL797906 0.73 PARP1 (0.41) CYP11B2CYP11B1HTR2AHTR2CHTR2B

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 7 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
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.