SCHEMBL20162152

SCHEMBL20162152

O=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1ccc2c(c1)CCC(O)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.45
DRD4 P21917 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
RIPK1 Q13546 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
P2RY14 Q15391 1/20 0.39
ACKR3 P25106 1/20 0.39

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
SCHEMBL20364406 0.87 TAS2R8 (0.53) TAS2R8DRD4RIPK1
SCHEMBL20162181 0.85 KDM4C (0.47) KDM4CTAS2R8DRD4CYP3A4CYP2C9
SCHEMBL20367354 0.84 TAS2R8 (0.47) KDM4CTAS2R8DRD4CYP3A4CYP2C9
SCHEMBL20162177 0.84 KDM4C (0.46) KDM4CTAS2R8DRD4CYP3A4CYP2C9
SCHEMBL20367225 0.84 KDM4C (0.48) KDM4CTAS2R8DRD4CYP3A4CYP2C9
SCHEMBL20162109 0.83 TAS2R8 (0.49) KDM4CTAS2R8KCNH2
SCHEMBL20367488 0.83 KDM4C (0.47) KDM4CTAS2R8CYP3A4CYP2C9KCNH2
SCHEMBL20330427 0.82 KDM4C (0.46) KDM4CTAS2R8CYP3A4CYP2C9
SCHEMBL20367121 0.81 ABCB1 (0.44) KDM4CTAS2R8ACKR3
SCHEMBL20162168 0.81 TAS2R8 (0.44) KDM4CTAS2R8DRD4CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 KDM4C 1041/4885TAS2R8 2479/4885DRD4 2382/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 KDM4C 1041/4885TAS2R8 2479/4885DRD4 2382/4885

“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.