SCHEMBL4980223

SCHEMBL4980223

O=C(c1ccc2c(c1)OCO2)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 3/20 0.45
GFER P55789 1/20 0.45
HSP90AB1 P08238 2/20 0.44
KMT2A Q03164 2/20 0.43

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
SCHEMBL4976938 0.89 HSP90AB1 (0.44) HPGDSMN1; SMN2TSHRHSP90AB1
SCHEMBL4976869 0.85 ALDH1A1 (0.49) ALDH1A1HPGDLMNANPC1SMN1; SMN2
SCHEMBL14346635 0.85 HSP90AB1 (0.46) HSP90AB1
SCHEMBL4974931 0.85 HSP90AB1 (0.48) ALDH1A1HPGDHSD17B10LMNANPC1
SCHEMBL4978075 0.85 HSP90AB1 (0.51) HSP90AB1KMT2A
SCHEMBL4976987 0.85 HSP90AB1 (0.51) HPGDHSP90AB1
SCHEMBL4976299 0.85 HSP90AB1 (0.48) ALDH1A1HPGDTP53TSHRHSP90AB1
SCHEMBL4980737 0.84 MAOB (0.52) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL4980746 0.84 MAOB (0.52) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL4978554 0.83 HSP90AB1 (0.63) HSD17B10HSP90AB1KMT2A

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 ALDH1A1 1142/4885HPGD 159/4885HSD17B10 4078/4885

“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.