SCHEMBL5597226

SCHEMBL5597226

NCC1CCC(N2CCc3c(Cl)ncc4cccc2c34)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.36
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
DCPS Q96C86 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
GPBAR1 Q8TDU6 5/20 0.32
CXCR4 P61073 1/20 0.32
PRKCQ Q04759 1/20 0.30

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
SCHEMBL5596310 0.83 HTR2C (0.41) CXCR4
SCHEMBL5596687 0.81
SCHEMBL5596752 0.80 PTPN11 (0.34) PTPN11PIM1PIM2DCPSGPBAR1
SCHEMBL5597033 0.79 HTR2C (0.44)
SCHEMBL5596718 0.78 C5AR1 (0.39)
SCHEMBL5596599 0.78 GPBAR1 (0.36) PTPN11PIM1PIM2GPBAR1
SCHEMBL5596427 0.77 HTR2C (0.46)
SCHEMBL5597050 0.76 DRD2 (0.35)
SCHEMBL5597034 0.71 HTR6 (0.40) PIM1PIM2CXCR4
SCHEMBL5596483 0.68 C5AR1 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A PTPN11 986/4885PIM1 3649/4885PIM2 4404/4885

“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.