SCHEMBL464535

SCHEMBL464535

O=c1[nH]c(=O)n(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 1/20 0.56
▸ SLC6A12 P48065 1/20 0.56
▸ SLC6A11 P48066 1/20 0.56
▸ CCR3 P51677 3/20 0.55
▸ DRD2 P14416 6/20 0.53
▸ CCR1 P32246 5/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ ADRA1A P35348 1/20 0.50

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
SCHEMBL464520 0.94 DRD2 (0.53) SLC6A1SLC6A12SLC6A11CCR3DRD2
SCHEMBL11507337 0.88 HTR7 (0.62) CCR3DRD2CCR1DRD3ADRA1A
SCHEMBL8174918 0.86 SLC6A1 (0.73) SLC6A1SLC6A12SLC6A11CCR3DRD2
SCHEMBL11507328 0.85 HTR7 (0.66) CCR3DRD2CCR1DRD3ADRA1A
Hydrochloric Acid SCHEMBL8175302 0.85 SLC6A1 (0.71) SLC6A1SLC6A12SLC6A11CCR3DRD2
SCHEMBL11508526 0.81 DRD2 (0.52) CCR3DRD2CCR1DRD3ADRA1A
SCHEMBL11508308 0.81 DRD2 (0.56) CCR3DRD2CCR1DRD3ADRA1A
SCHEMBL11507790 0.80 DRD2 (0.51) CCR3DRD2CCR1ADRA1A
SCHEMBL11509380 0.78 DRD2 (0.48) CCR3DRD2CCR1DRD3ADRA1A
Hydrochloric Acid SCHEMBL11506955 0.78 DRD2 (0.51) CCR3DRD2CCR1DRD4DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-21 — — US disclosed
US-8623884-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-07 — — US disclosed
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS KENNIS LUDO EDMOND JOSEPHINE (BE) 2012-03-15 — — US disclosed
US-8080557-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-20 — — US disclosed
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2008-02-14 — — US disclosed
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2008-02-14 — — 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 (3 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-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 SLC6A1 4727/4885SLC6A12 4587/4885SLC6A11 4801/4885
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors PARP1, PARP2, PARP3 SLC6A1 4727/4885SLC6A12 4587/4885SLC6A11 4801/4885
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 SLC6A1 4727/4885SLC6A12 4587/4885SLC6A11 4801/4885

“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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