SCHEMBL4980323

SCHEMBL4980323

O=C(C(c1ccccc1)c1ccccc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.45
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HSP90AB1 P08238 3/20 0.41
CHRM1 P11229 2/20 0.41
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MAPT P10636 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
HSP90AA1 P07900 3/20 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
SCHEMBL4980278 0.95 PTPN11 (0.41) PTPN11ACHEALDH1A1KDM4EADRB2
SCHEMBL4974977 0.90 CHRM3 (0.48) PTPN11ACHEALDH1A1LMNATSHR
SCHEMBL4980386 0.89 CHRM1 (0.45) PTPN11ACHEALDH1A1KDM4ELMNA
SCHEMBL4979714 0.89 PTPN11 (0.42) PTPN11ACHEALDH1A1LMNATSHR
SCHEMBL4978911 0.89 CHRM3 (0.49) PTPN11ACHEALDH1A1LMNATSHR
SCHEMBL4976359 0.85 HSP90AB1 (0.52) PTPN11ALDH1A1KDM4EHSP90AB1KDM2B
SCHEMBL4978771 0.85 HSP90AA1 (0.46) PTPN11HCRTR1HCRTR2HSP90AB1TLR4
SCHEMBL4976452 0.84 PTPN11 (0.42) PTPN11ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL4978051 0.83 SLC6A7 (0.53) PTPN11ALDH1A1KDM4ELMNATSHR
SCHEMBL4976947 0.83 MEN1 (0.53) PTPN11ALDH1A1KDM4ELMNAHTT

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 PTPN11 4015/4885ACHE 2948/4885ALDH1A1 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.