SCHEMBL13041643

SCHEMBL13041643

CSCCN1Cc2ccccc2N(C(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PRKCG P05129 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ BRS3 P32247 1/20 0.32
▸ ACE P12821 1/20 0.31
▸ DRD2 P14416 1/20 0.31

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 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTPRKCGPRKCA
SCHEMBL13041625 0.83 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PRKCGPRKCAPRKCD
SCHEMBL13041634 0.81 PARP1 (0.43) RAB9AALDH1A1HTTBRS3DRD2
SCHEMBL13041635 0.81 PARP1 (0.43) ALOX15KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL13041639 0.80 PARP1 (0.43) ALDH1A1SMN1; SMN2PRKCGPRKCAPRKCD
SCHEMBL13041640 0.78 PARP1 (0.44) DRD2DRD3
SCHEMBL13041631 0.78 ENPP2 (0.51) KDM4ESMN1; SMN2OPRM1OPRL1CYP2D6
SCHEMBL13041641 0.77 BRD4 (0.41) ALDH1A1SMN1; SMN2DPP4OPRM1OPRL1
SCHEMBL13015326 0.76 BRD4 (0.42) ALDH1A1SMN1; SMN2HPGDDPP4OPRM1
SCHEMBL13041644 0.74 OPRL1 (0.42) RAB9ADPP4OPRM1OPRL1DRD2

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 1 patent. 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

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 ALOX15 3657/4885KDM4E 3678/4885NPC1 2623/4885

“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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