SCHEMBL20184092

SCHEMBL20184092

COc1ccccc1CN1Cc2ccc(C#N)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
GRIN2B Q13224 1/20 0.43
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
TNF P01375 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL21723493 0.81 DRD2 (0.54) DRD2DRD3GRIN2BUSP2HSD17B10
SCHEMBL20184098 0.79 HDAC1 (0.52) ADAM17DRD2DRD3HDAC4HDAC1
SCHEMBL20184005 0.79 ADAM17 (0.52) ADAM17USP2HSD17B10GAAKDM4E
SCHEMBL31430150 0.74 CFB (0.49) ADAM17
SCHEMBL20184099 0.73 ADAM17 (0.43) ADAM17GAAKDM4EHDAC4HDAC1
SCHEMBL5657524 0.72 DRD2 (0.51) DRD2DRD4DRD3
SCHEMBL5901031 0.71 RXFP1 (0.53) USP2HSD17B10GAAKDM4ERECQL
SCHEMBL7239701 0.70 DRD2 (0.46) DRD2DRD4DRD3OPRM1KDM4E
SCHEMBL20184059 0.70 HDAC6 (0.50) GRIN2BKDM4EHDAC1HDAC8HDAC6
SCHEMBL15729220 0.70 PARP1 (0.44) OPRM1OPRL1TNFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357484-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-23 US disclosed
US-20190008836-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-10 US disclosed
EP-3327019-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-05-30 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 (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-10357484-B2 Heterocyclic compound HDAC1, HDAC11, HDAC5 ADAM17 2994/4885DRD2 4420/4885DRD4 4483/4885
US-20190008836-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC11, HDAC5 ADAM17 2994/4885DRD2 4420/4885DRD4 4483/4885

“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.