SCHEMBL970335

SCHEMBL970335

Cn1c2c(c3ccc(N4CCOCC4)nc31)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
PARP1 P09874 1/20 0.39
HRH3 Q9Y5N1 12/20 0.38
ADRA1A P35348 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL968990 0.82 KDM4E (0.41) KDM4EALDH1A1RECQLPARP1HRH3
SCHEMBL968695 0.81 PARP1 (0.47) MCHR1KDM4EALDH1A1PARP1PRMT5
SCHEMBL967453 0.80 HRH3 (0.39) MCHR1KDM4EALDH1A1PARP1HRH3
SCHEMBL1018360 0.80 KDM4E (0.46) KDM4EALDH1A1RECQLPARP1HRH3
SCHEMBL13985864 0.78 HRH3 (0.38) KDM4EALDH1A1PARP1HRH3PRMT5
SCHEMBL967951 0.77 PARP1 (0.52) KDM4EALDH1A1PARP1PRMT5WDR77
SCHEMBL969343 0.76 PARP1 (0.42) KDM4EALDH1A1RECQLPARP1HRH3
SCHEMBL1020740 0.75 KDM4E (0.42) KDM4EALDH1A1RECQLPARP1HRH3
SCHEMBL1020109 0.74 KDM4E (0.41) KDM4EALDH1A1RECQLPARP1HRH3
SCHEMBL971043 0.74 PARP1 (0.43) KDM4EALDH1A1RECQLPARP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 MCHR1 302/4885KDM4E 3037/4885ALDH1A1 812/4885

“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.