SCHEMBL13041631

SCHEMBL13041631

CC(C)N1C(=O)N(Cc2ccccc2)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.51
▸ BRS3 P32247 1/20 0.48
▸ DRD3 P35462 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ CACNA1G O43497 2/20 0.44
▸ CACNA1H O95180 2/20 0.44
▸ CACNA1I Q9P0X4 2/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 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
SCHEMBL13041634 0.86 PARP1 (0.43) ENPP2BRS3DRD3KCNH2CACNA1G
SCHEMBL13041639 0.82 PARP1 (0.43) ENPP2BRS3DRD3KCNH2PARP1
SCHEMBL13041630 0.81 ALDH1A1 (0.43) BRS3DRD3PARP1OPRM1OPRL1
SCHEMBL13041625 0.80 ALDH1A1 (0.39) BRS3PARP1OPRM1OPRL1SMN1; SMN2
SCHEMBL13041641 0.79 BRD4 (0.41) BRS3PARP1BRD4OPRM1OPRK1
SCHEMBL13041635 0.78 PARP1 (0.43) POLBPARP1KDM4ECYP2D6CYP2C9
SCHEMBL13041643 0.78 ALOX15 (0.36) ENPP2BRS3DRD3KCNH2OPRM1
SCHEMBL13041644 0.76 OPRL1 (0.42) BRD4OPRM1OPRK1OPRL1KMT2A
SCHEMBL13015326 0.75 BRD4 (0.42) KCNH2PARP1BRD4OPRM1OPRK1
SCHEMBL26661186 0.75 SMN1; SMN2 (0.39) KCNH2L3MBTL1KDM4ECYP2D6CYP2C9

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — 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 (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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 ENPP2 2227/4885BRS3 549/4885DRD3 765/4885

“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.

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