SCHEMBL21795778

SCHEMBL21795778

CCN1CCC(=C(C)c2ccc(OC(N)=O)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
NNMT P40261 2/20 0.40
OPRM1 P35372 13/20 0.39
OPRD1 P41143 13/20 0.39
OPRK1 P41145 12/20 0.39
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.38

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
SCHEMBL21795770 0.80 SMN1; SMN2 (0.40) NNMTMAPT
SCHEMBL21795777 0.78 OGA (0.44) HRH3
SCHEMBL21795773 0.75 DUSP3 (0.44) MAPT
SCHEMBL22003701 0.71 GRIN2B (0.48)
SCHEMBL29022603 0.68 NNMT (0.47) NNMTOPRM1OPRD1OPRK1MAPT
SCHEMBL28476110 0.64 KDM4E (0.58) NNMTMAPT
SCHEMBL22031223 0.63 HRH3 (0.71) HRH3NNMT
SCHEMBL4452722 0.63 HRH3 (0.48) HRH3NNMTOPRM1OPRD1OPRK1
SCHEMBL2828056 0.63 OPRM1 (0.60) HRH3OPRM1OPRK1
SCHEMBL18822758 0.63 HRH3 (0.54) HRH3NNMT

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-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
CN-108794452-B Compound with kinase inhibition activity, preparation method and application thereof 上海时莱生物技术有限公司 2021-05-28 CN disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 US disclosed
EP-3620456-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF Selection Bioscience LLC (CN) 2020-03-11 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-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CDK9, CDK7, CDK6 HRH3 3825/4885NNMT 1660/4885OPRM1 3916/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 HRH3 3825/4885NNMT 1660/4885OPRM1 3916/4885

“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.