SCHEMBL4978172

SCHEMBL4978172

CC(C)(C)c1ccc(OCC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 6/20 0.44
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ORAI1 Q96D31 1/20 0.41
HSP90AB1 P08238 2/20 0.39
KDM2B Q8NHM5 1/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 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
SCHEMBL4980557 0.91 KDM4E (0.49) KDM4EACHEMAPTTDP1POLB
SCHEMBL4976307 0.91 ACHE (0.51) KDM4ETSHRACHETDP1POLB
SCHEMBL4980209 0.89 POLB (0.52) KDM4EACHEMAPTTDP1POLB
SCHEMBL4981561 0.89 HSP90AB1 (0.47) KDM4EACHEMAPTTDP1POLB
SCHEMBL4973559 0.89 KDM4E (0.59) KDM4EACHEMAPTTDP1POLB
SCHEMBL4977142 0.88 KDM4E (0.45) KDM4EACHEMAPTTDP1POLB
SCHEMBL4979123 0.85 SMN1; SMN2 (0.54) KDM4EACHEMAPTTDP1POLB
SCHEMBL4978065 0.85 GBA1 (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4975400 0.85 HRH3 (0.44) KDM4EACHEPOLBNPC1RAB9A
SCHEMBL4978179 0.84 NPSR1 (0.58) KDM4ETSHRMAPTTDP1POLB

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 KDM4E 1865/4885TSHR 223/4885ACHE 2948/4885

“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.