SCHEMBL25745883

SCHEMBL25745883

CCCN1CCC(n2nc(C(C)(C)C)cc2C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.39
SLC6A4 P31645 7/20 0.39
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
PABPC1 P11940 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL25745891 0.92 DRD2 (0.36) DRD2SLC6A4ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL24813393 0.88 MAPK13 (0.33) DRD2SIGMAR1DRD3
SCHEMBL25745827 0.86 DRD2 (0.41) DRD2SLC6A4ALDH1A1SMN1; SMN2PABPC1
SCHEMBL15069885 0.82 MAPK13 (0.40) SIGMAR1
SCHEMBL24813395 0.81 MAPK13 (0.32) DRD2DRD3
SCHEMBL26013188 0.81 MAPK13 (0.30)
SCHEMBL25745882 0.80 MAPK13 (0.32) DRD2DRD3
SCHEMBL19954603 0.79 TRPV4 (0.43) DRD2ALDH1A1HTR1AHTR2ADRD3
SCHEMBL25745871 0.79 MAPK13 (0.47) ALDH1A1
SCHEMBL25745811 0.78 DRD2 (0.38) DRD2SLC6A4SIGMAR1DRD3

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
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 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 (2 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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B DRD2 4364/4885SLC6A4 4557/4885ALDH1A1 3735/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B DRD2 4364/4885SLC6A4 4557/4885ALDH1A1 3735/4885

“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.