SCHEMBL4976869

SCHEMBL4976869

O=C(Cc1ccc2c(c1)OCO2)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CHRM2 P08172 1/20 0.40
CCR5 P51681 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE5A O76074 1/20 0.39
CYP19A1 P11511 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PMP22 Q01453 1/20 0.38
NPC1 O15118 1/20 0.38
TPSAB1 Q15661 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
SCHEMBL4980223 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4ELMNATSHR
SCHEMBL4980761 0.85 KDM4E (0.45) ALDH1A1KDM4ESIGMAR1SMN1; SMN2
SCHEMBL4976877 0.85 HRH3 (0.44) ALDH1A1KMT2AKDM4E
SCHEMBL4977925 0.84 HSP90AB1 (0.48) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4978406 0.84 POLB (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4980689 0.84 HSP90AB1 (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4979654 0.84 MAPT (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4976061 0.84 KDM4E (0.57) ALDH1A1KDM4ESIGMAR1
SCHEMBL4980737 0.84 MAOB (0.52) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4980746 0.84 MAOB (0.52) ALDH1A1MEN1KMT2AKDM4ELMNA

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 ALDH1A1 1142/4885MEN1 4419/4885KMT2A 1417/4885

“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.