SCHEMBL2997784

SCHEMBL2997784

CCOC(=O)c1cc(C)n2nc(-c3ccc(OC)cc3C)c(C)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.62
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4D Q08499 1/20 0.41
ELANE P08246 1/20 0.41
CSNK1D P48730 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
GLA P06280 1/20 0.40
CA3 P07451 1/20 0.40
GAA P10253 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL2997417 0.83 CRHR1 (0.62) CRHR1
SCHEMBL2997419 0.83 CRHR1 (0.62) CRHR1
SCHEMBL2993371 0.81 CRHR1 (0.45) CRHR1KDM4EALDH1A1HPGDTP53
SCHEMBL3000648 0.76 CRHR1 (1.00) CRHR1
SCHEMBL2999257 0.75 CRHR1 (0.83) CRHR1
SCHEMBL14183025 0.73 KDM4E (0.59) CRHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3481769 0.71 HPGD (0.58) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL17843992 0.70 CDC7 (0.46) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL15869833 0.69 FAAH (0.49) KDM4EALDH1A1HPGDTP53PDE4D
SCHEMBL3146844 0.69 CRHR1 (0.66) CRHR1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184771-A1 Bicyclic Heterocyclic Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-22 US disclosed
EP-1961754-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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-20100184771-A1 Bicyclic Heterocyclic Compound NR3C2, NR3C1, CRHR1 CRHR1 3/4885KDM4E 3422/4885ALDH1A1 2365/4885

“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.