SCHEMBL4975400

SCHEMBL4975400

O=C(COc1ccc(Cl)c(Cl)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 2/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AB1 P08238 3/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL4980209 0.91 POLB (0.52) HRH3SMN1; SMN2KDM4ERAB9AACHE
SCHEMBL4975188 0.89 FKBP1A (0.47) HRH3SMN1; SMN2KDM4EACHEPOLB
SCHEMBL4979123 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENPC1RAB9AACHE
SCHEMBL4981561 0.87 HSP90AB1 (0.47) HRH3SMN1; SMN2KDM4ERAB9AACHE
SCHEMBL4980557 0.87 KDM4E (0.49) SMN1; SMN2KDM4EACHEPOLBCYP2D6
SCHEMBL4976307 0.87 ACHE (0.51) HRH3KDM4EACHEPOLBHSP90AB1
SCHEMBL4973559 0.87 KDM4E (0.59) SMN1; SMN2KDM4EACHEPOLB
SCHEMBL4976877 0.86 HRH3 (0.44) HRH3KDM4EHSP90AB1
SCHEMBL4978179 0.86 NPSR1 (0.58) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL4978277 0.86 HTT (0.52) SMN1; SMN2KDM4ENPC1SIGMAR1NPSR1

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 1/4885SMN1; SMN2 3880/4885KDM4E 1865/4885

“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.