SCHEMBL4976877

SCHEMBL4976877

O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
KMT2A Q03164 1/20 0.43
CXCR3 P49682 1/20 0.42
CCR3 P51677 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AB1 P08238 2/20 0.41
OPRK1 P41145 3/20 0.40
ADRB2 P07550 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 1/20 0.39

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
SCHEMBL4980689 0.90 HSP90AB1 (0.48) HRH3KMT2AKDM4EALDH1A1HSP90AB1
SCHEMBL4974640 0.89 KDM4E (0.44) HRH3CCR3KDM4EALDH1A1HSP90AB1
SCHEMBL4980761 0.88 KDM4E (0.45) HRH3KDM4EALDH1A1HSP90AB1
SCHEMBL4978015 0.87 HSP90AB1 (0.41) HRH3KDM4EALDH1A1HSP90AB1
SCHEMBL4977925 0.86 HSP90AB1 (0.48) HRH3KMT2AKDM4EALDH1A1HSP90AB1
SCHEMBL4979654 0.86 MAPT (0.46) HRH3KMT2ACCR3KDM4EALDH1A1
SCHEMBL4978406 0.86 POLB (0.47) KMT2AKDM4EALDH1A1HSP90AB1
SCHEMBL4976061 0.86 KDM4E (0.57) HRH3KDM4EALDH1A1HSP90AB1
SCHEMBL4975400 0.86 HRH3 (0.44) HRH3KDM4EHSP90AB1
SCHEMBL4976114 0.86 PANK3 (0.53) KMT2AKDM4EALDH1A1HSP90AB1

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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 HRH3 1/4885KMT2A 1417/4885CXCR3 296/4885

“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.