SCHEMBL31298041

SCHEMBL31298041

O=CN1CCN(CCCN2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
HRH3 Q9Y5N1 2/20 0.52
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL31298039 0.98 HSD17B10 (0.57) HSD17B10HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL5574053 0.91 HSD17B10 (0.47) HSD17B10HRH3SIGMAR1
SCHEMBL13632361 0.82 HSD17B10 (0.46) HSD17B10
SCHEMBL4023110 0.80 HSD17B10 (0.42) HSD17B10HRH3SIGMAR1
SCHEMBL7092659 0.78 HSD17B10 (0.41) HSD17B10HRH3ALDH1A1SIGMAR1
SCHEMBL4024810 0.78 HSD17B10 (0.41) HSD17B10HRH3ALDH1A1SIGMAR1
SCHEMBL1306555 0.78 HSD17B10 (0.46) HSD17B10HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL4915224 0.78 GNAI3 (0.44) HSD17B10SIGMAR1
SCHEMBL23828672 0.78 HRH3 (0.81) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL17525461 0.78 HRH3 (0.71) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 HSD17B10 2583/4885HRH3 3787/4885CYP1A2 3868/4885

“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.