SCHEMBL13041625

SCHEMBL13041625

CC(C)CCN1Cc2ccccc2N(C(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ VDR P11473 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ NAMPT P43490 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ BRS3 P32247 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ PARP1 P09874 1/20 0.33

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
SCHEMBL13041630 0.87 ALDH1A1 (0.43) ALDH1A1BRS3SMN1; SMN2PRKCGPRKCA
SCHEMBL13041639 0.85 PARP1 (0.43) ALDH1A1BRS3SMN1; SMN2PRKCGPRKCA
SCHEMBL13041643 0.83 ALOX15 (0.36) ALDH1A1BRS3SMN1; SMN2PRKCGPRKCA
SCHEMBL13041634 0.83 PARP1 (0.43) ALDH1A1BRS3PARP1
SCHEMBL13041635 0.83 PARP1 (0.43) ALDH1A1SMN1; SMN2PARP1
SCHEMBL13041640 0.80 PARP1 (0.44) PARP1
SCHEMBL13041631 0.80 ENPP2 (0.51) BRS3SMN1; SMN2OPRM1OPRL1PARP1
SCHEMBL13041641 0.79 BRD4 (0.41) ALDH1A1BRS3SMN1; SMN2OPRM1OPRL1
SCHEMBL13015326 0.79 BRD4 (0.42) ALDH1A1SMN1; SMN2OPRM1OPRL1DPP4
SCHEMBL13041644 0.76 OPRL1 (0.42) OPRM1OPRL1DPP4

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 ALDH1A1 2596/4885VDR 976/4885GRM2 2069/4885

“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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