SCHEMBL4980746

SCHEMBL4980746

O=C(C=Cc1ccc2c(c1)OCO2)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TRPV1 Q8NER1 2/20 0.51
HPGD P15428 5/20 0.49
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.46
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44

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
SCHEMBL4980737 1.00 MAOB (0.52) MAOBNPC1RAB9ATRPV1HPGD
SCHEMBL4978447 0.86 TLR4 (0.35) MAOBNPC1RAB9ATRPV1HPGD
SCHEMBL4978444 0.86 TLR4 (0.35) MAOBNPC1RAB9ATRPV1HPGD
SCHEMBL4976585 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GPR183
SCHEMBL4976576 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GPR183
SCHEMBL14346864 0.86 HSP90AB1 (0.42) NPC1RAB9AHPGDGPR183
SCHEMBL4980006 0.85 MAPT (0.46) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL4980014 0.85 MAPT (0.46) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL4976529 0.85 HSP90AB1 (0.47) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4974626 0.85 MAPT (0.52) NPC1RAB9AKDM4EKMT2AMEN1

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 2 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

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 MAOB 776/4885NPC1 4289/4885RAB9A 2216/4885

“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.