SCHEMBL31297972

SCHEMBL31297972

CC1CN(C(=N)NC(=O)c2ccccc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
GAA P10253 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADRB1 P08588 1/20 0.43
GPR6 P46095 1/20 0.40
REN P00797 1/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.38
DRD4 P21917 1/20 0.38
HDAC1 Q13547 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 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
SCHEMBL31298071 0.85 GAA (0.43) GAAALOX5RAB9AACHEDRD4
SCHEMBL31298060 0.83 SIGMAR1 (0.58) GAASIGMAR1GPR6ALOX5MEN1
SCHEMBL12152000 0.79 HRH4 (0.46) HRH4SIGMAR1ADRB1RENKMT2A
SCHEMBL1090206 0.79 SIGMAR1 (0.65) HRH4SIGMAR1RENKMT2AACHE
SCHEMBL1090204 0.79 SIGMAR1 (0.65) HRH4SIGMAR1RENKMT2AACHE
SCHEMBL12151974 0.79 HRH4 (0.46) HRH4SIGMAR1ADRB1RENKMT2A
SCHEMBL1733229 0.79 HRH4 (0.46) HRH4SIGMAR1ADRB1RENKMT2A
SCHEMBL10293578 0.79 SIGMAR1 (0.65) HRH4SIGMAR1RENKMT2AACHE
Hydrochloric Acid SCHEMBL3922069 0.77 SIGMAR1 (0.63) HRH4SIGMAR1RENKMT2AACHE
Hydrochloric Acid SCHEMBL3922073 0.77 SIGMAR1 (0.63) HRH4SIGMAR1RENKMT2AACHE

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 HRH4 4216/4885GAA 4758/4885SIGMAR1 4495/4885

“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.