SCHEMBL4975188

SCHEMBL4975188

O=C(COc1cccc(Cl)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.47
ENPP2 Q13822 4/20 0.47
KDM4E B2RXH2 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
MAPT P10636 2/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
HSP90AB1 P08238 1/20 0.43
POLB P06746 1/20 0.42
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL4978018 0.90 GAA (0.50) KDM4EHRH3MAPTCYP2D6CYP2C19
SCHEMBL14346533 0.90 KDM4E (0.46) KDM4EMAPTCYP2D6CYP2C19NPSR1
SCHEMBL4978179 0.90 NPSR1 (0.58) KDM4EMAPTCYP2D6CYP2C19NPSR1
SCHEMBL4980209 0.90 POLB (0.52) ENPP2KDM4EHRH3MAPTKCNH2
SCHEMBL4973559 0.90 KDM4E (0.59) KDM4EMAPTSMN1; SMN2ACHEPOLB
SCHEMBL4975400 0.89 HRH3 (0.44) KDM4EHRH3CYP2D6CYP2C19NPSR1
SCHEMBL4979123 0.88 SMN1; SMN2 (0.54) KDM4EMAPTCYP2D6CYP2C19NPSR1
SCHEMBL4978277 0.87 HTT (0.52) ENPP2KDM4EMAPTNPSR1SMN1; SMN2
SCHEMBL4974640 0.86 KDM4E (0.44) KDM4EHRH3KCNH2HSP90AB1KDM2B
SCHEMBL4978678 0.85 HRH3 (0.44) HRH3MAPTKCNH2HSP90AB1KDM2B

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 FKBP1A 2923/4885ENPP2 963/4885KDM4E 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.