SCHEMBL4976016

SCHEMBL4976016

O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.45
HRH3 Q9Y5N1 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
STAT3 P40763 1/20 0.40
KCNH2 Q12809 6/20 0.40
NTRK1 P04629 6/20 0.40
NTRK2 Q16620 5/20 0.40
NTRK3 Q16288 4/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
MAPT P10636 2/20 0.39
MCHR1 Q99705 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL4977142 0.91 KDM4E (0.45) HRH3KDM4EALDH1A1MAPTMCHR1
SCHEMBL4976765 0.90 ENPP2 (0.42) KDM4EALDH1A1MAPT
SCHEMBL4979742 0.89 ALDH1A1 (0.48) HRH3KDM4EALDH1A1MAPT
SCHEMBL4974912 0.89 ME2 (0.44) HRH3KDM4EALDH1A1
SCHEMBL4977925 0.88 HSP90AB1 (0.48) PANK3HRH3KDM4EALDH1A1MAPT
SCHEMBL4974609 0.87 KDM4E (0.48) HRH3KDM4EALDH1A1KCNH2GPR119
SCHEMBL4973602 0.87 HSP90AB1 (0.49) HRH3KCNH2
SCHEMBL4980689 0.86 HSP90AB1 (0.48) PANK3HRH3KDM4EALDH1A1KCNH2
SCHEMBL4979654 0.86 MAPT (0.46) PANK3HRH3KDM4EALDH1A1MAPT
SCHEMBL4978406 0.86 POLB (0.47) PANK3KDM4EALDH1A1MAPT

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 PANK3 2296/4885HRH3 1/4885KDM4E 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.