SCHEMBL20021310

SCHEMBL20021310

CCN1CCN(CC(C)C)CC1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
PIK3CD O00329 4/20 0.37
CHRM1 P11229 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL9801723 0.85 SIGMAR1 (0.46) SIGMAR1CHRM1CYP2D6CYP2C19KMT2A
SCHEMBL9801673 0.85 SIGMAR1 (0.49) SIGMAR1CHRM1CYP2D6CYP2C19KMT2A
SCHEMBL20021306 0.85 SIGMAR1 (0.38) SIGMAR1PIK3CDCYP2D6CYP2C19GAA
SCHEMBL26170531 0.83 PIK3CD (0.37) SIGMAR1PIK3CDCYP2D6CYP2C19KMT2A
SCHEMBL278051 0.81 SIGMAR1 (0.50) SIGMAR1CHRM1CYP2D6CYP2C19KCNJ1
SCHEMBL12942333 0.81 SIGMAR1 (0.50) SIGMAR1CHRM1CYP2D6CYP2C19KCNJ1
SCHEMBL12942334 0.81 SIGMAR1 (0.50) SIGMAR1CHRM1CYP2D6CYP2C19KCNJ1
SCHEMBL13374288 0.79 SIGMAR1 (0.49) SIGMAR1CHRM1CYP2D6CYP2C19GAA
SCHEMBL19000003 0.76 PIK3CD (0.40) PIK3CDCHRM1CYP2D6
SCHEMBL19000041 0.76 PIK3CD (0.40) PIK3CDCHRM1CYP2D6

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-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-12 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P SIGMAR1 3017/4885PIK3CD 1262/4885CHRM1 4131/4885
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity HSF1, HSP90AB1, HSP90AB2P SIGMAR1 3017/4885PIK3CD 1262/4885CHRM1 4131/4885

“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.