SCHEMBL13041640

SCHEMBL13041640

CC(C)N1C(=O)N(CCCN2CCCC2)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ DRD3 P35462 9/20 0.42
▸ DRD2 P14416 8/20 0.42
▸ DRD5 P21918 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ HTR4 Q13639 2/20 0.41
▸ DRD4 P21917 4/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ DRD1 P21728 3/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ ADRA1B P35368 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
SCHEMBL13041630 0.81 ALDH1A1 (0.43) PARP1PARP2DRD3DRD2DRD4
SCHEMBL13041625 0.80 ALDH1A1 (0.39) PARP1
SCHEMBL13041643 0.78 ALOX15 (0.36) DRD3DRD2
SCHEMBL13041635 0.78 PARP1 (0.43) PARP1PARP2
SCHEMBL13041634 0.78 PARP1 (0.43) PARP1PARP2DRD3DRD2DRD4
SCHEMBL13041639 0.77 PARP1 (0.43) PARP1DRD3CHRM2CHRM1DRD1
SCHEMBL13041631 0.75 ENPP2 (0.51) PARP1DRD3
SCHEMBL13041641 0.74 BRD4 (0.41) PARP1HTR1A
SCHEMBL13041644 0.73 OPRL1 (0.42) DRD2SIGMAR1
SCHEMBL13015326 0.73 BRD4 (0.42) PARP1

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 PARP1 3310/4885PARP2 4134/4885DRD3 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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