SCHEMBL4977142

SCHEMBL4977142

O=C(COc1ccc(OC(F)(F)F)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MCHR1 Q99705 6/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ACHE P22303 5/20 0.42
MCHR2 Q969V1 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ORAI1 Q96D31 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
SCHEMBL4976016 0.91 PANK3 (0.45) KDM4EMCHR1HRH3MAPTALDH1A1
SCHEMBL4981561 0.91 HSP90AB1 (0.47) KDM4EHRH3ACHEPOLBTDP1
SCHEMBL4980557 0.89 KDM4E (0.49) KDM4EACHEPOLBTDP1MAPT
SCHEMBL4980209 0.89 POLB (0.52) KDM4EMCHR1HRH3ACHEPOLB
SCHEMBL4976307 0.89 ACHE (0.51) KDM4EHRH3ACHEPOLBTDP1
SCHEMBL4973559 0.89 KDM4E (0.59) KDM4EACHEPOLBTDP1MAPT
SCHEMBL4978172 0.88 KDM4E (0.45) KDM4EACHEPOLBTDP1MAPT
SCHEMBL4973602 0.88 HSP90AB1 (0.49) HRH3
SCHEMBL4979123 0.85 SMN1; SMN2 (0.54) KDM4EACHEPOLBTDP1MAPT
SCHEMBL4975400 0.85 HRH3 (0.44) KDM4EMCHR1HRH3ACHEPOLB

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 1865/4885MCHR1 713/4885HRH3 1/4885

“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.