SCHEMBL4980386

SCHEMBL4980386

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.45
PTPN11 Q06124 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 3/20 0.40
MAPT P10636 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HSP90AB1 P08238 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OGA O60502 1/20 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
SCHEMBL4976626 0.90 HSP90AB1 (0.44) CHRM1ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL4980323 0.89 PTPN11 (0.45) CHRM1PTPN11ALDH1A1TSHRKDM4E
SCHEMBL4979714 0.88 PTPN11 (0.42) CHRM1PTPN11ALDH1A1TSHRLMNA
SCHEMBL4974977 0.86 CHRM3 (0.48) CHRM1PTPN11ALDH1A1TSHRLMNA
SCHEMBL4980378 0.86 HSP90AA1 (0.47) PTPN11LMNAHSP90AA1MAPTHCRTR1
SCHEMBL4980278 0.86 PTPN11 (0.41) CHRM1PTPN11ALDH1A1TSHRKDM4E
SCHEMBL4978911 0.86 CHRM3 (0.49) CHRM1PTPN11ALDH1A1TSHRLMNA
SCHEMBL4978771 0.84 HSP90AA1 (0.46) PTPN11HSP90AA1MAPTHCRTR1HCRTR2
SCHEMBL4976452 0.83 PTPN11 (0.42) PTPN11ALDH1A1KDM4EHSD17B10HSP90AA1
SCHEMBL4978904 0.83 HSP90AA1 (0.43) PTPN11LMNAHSP90AA1MAPTHCRTR1

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 CHRM1 372/4885PTPN11 4015/4885ALDH1A1 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.