SCHEMBL794188

SCHEMBL794188

COc1ccc(F)c2c1C(=O)N(c1cnccc1C)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
CYP17A1 P05093 1/20 0.34
PTGDR2 Q9Y5Y4 6/20 0.33
GRM5 P41594 1/20 0.33
MAP4K1 Q92918 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
GPR52 Q9Y2T5 2/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL807967 0.77 GRM5 (0.44) GRM5
SCHEMBL798873 0.75 CYP11B2 (0.39) CYP17A1P2RX7CYP11B2
SCHEMBL807794 0.74 KMT2A (0.51) PDE4APDE4BPDE4CPDE4DCYP11B2
SCHEMBL3785471 0.72 CYP17A1 (0.47) CYP17A1
SCHEMBL3785885 0.72 CYP17A1 (0.47) CYP17A1
SCHEMBL12467032 0.71 CYP11B2 (0.52) CYP17A1P2RX7CYP11B2
SCHEMBL793691 0.70 P2RX7 (0.40) CYP17A1P2RX7CYP11B2
SCHEMBL794032 0.70 CYP11B2 (0.44) CYP11B2KDM4EALDH1A1PDE10A
SCHEMBL15467685 0.70 CYP17A1 (0.35) CYP17A1P2RX7CYP11B2
SCHEMBL793672 0.69 HTR2C (0.35) CYP17A1P2RX7CYP11B2

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 9 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
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 PDE4A 1453/4885PDE4B 1662/4885PDE4C 1751/4885

“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.