SCHEMBL4977153

SCHEMBL4977153

O=C(Cc1ccccc1C(F)(F)F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.48
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TRPV1 Q8NER1 2/20 0.41
PRCP P42785 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HSP90AB1 P08238 2/20 0.40
PTPN11 Q06124 1/20 0.39
TACR1 P25103 1/20 0.39
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.38
EPHX2 P34913 2/20 0.38
CYP2C9 P11712 1/20 0.38
SYK P43405 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
SCHEMBL4978129 0.93 RBP4 (0.41) RBP4KDM4EALDH1A1TRPV1PRCP
SCHEMBL4974618 0.89 HSP90AB1 (0.43) KDM4EALDH1A1HRH3HSP90AB1PTPN11
SCHEMBL4980609 0.88 HSP90AB1 (0.40) KDM4EALDH1A1HRH3HSP90AB1PTPN11
SCHEMBL4978128 0.87 DGAT1 (0.46) KDM4EALDH1A1HSP90AB1PTPN11MAPT
SCHEMBL4973587 0.87 LMNA (0.48) KDM4EALDH1A1MAPT
SCHEMBL4980033 0.87 MAPT (0.48) KDM4EALDH1A1HSP90AB1PTPN11MAPT
SCHEMBL4978643 0.86 ACHE (0.49) KDM4EALDH1A1PTPN11MAPT
SCHEMBL4974974 0.85 KDM4E (0.42) KDM4EALDH1A1HRH3HSP90AB1PTPN11
SCHEMBL4978889 0.85 GBA1 (0.47) TRPV1HRH3HSP90AB1PTPN11CYP2C9
SCHEMBL4976061 0.85 KDM4E (0.57) KDM4EALDH1A1HRH3HSP90AB1PTPN11

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 RBP4 2518/4885KDM4E 1865/4885ALDH1A1 1142/4885

“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.