SCHEMBL3785201

SCHEMBL3785201

CC1(C)CNC(=O)N1c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
ELANE P08246 1/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MTOR P42345 1/20 0.40

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
SCHEMBL6224475 0.81 MMP13 (0.40) ELANEGAAMAPTALDH1A1L3MBTL1
SCHEMBL14843336 0.79 GRM5 (0.52)
SCHEMBL3802863 0.78 ELANE (0.54) ARELANEGAAMAPTHSD17B10
SCHEMBL3805446 0.78 AR (0.46) ARELANEGAAMAPTHSD17B10
SCHEMBL14843988 0.75 CHRNB2 (0.43) ARELANECYP11B2CHRNB2CHRNA4
SCHEMBL3780261 0.74 PDE9A (0.38) ARMAPTCYP11B1CYP11B2
SCHEMBL8306096 0.73 MAPT (0.42) ELANEMAPTALDH1A1HTTMAPK1
SCHEMBL14844014 0.72 GRM5 (0.34)
SCHEMBL16702384 0.71 DDB1 (0.42) ARGAAMAPTHSD17B10ALDH1A1
SCHEMBL25308762 0.71 AR (1.00) ARELANEGAAMAPTHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
CN-102803250-B 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2014-04-16 CN disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US 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 (2 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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 AR 857/4885ELANE 4097/4885GAA 899/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 AR 857/4885ELANE 4097/4885GAA 899/4885

“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.