SCHEMBL16684352

SCHEMBL16684352

ICCCCN1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.70
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CXCR4 P61073 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL10367667 0.97 HRH3 (0.75) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL13831932 0.97 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL739192 0.92 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL10369304 0.92 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL736509 0.89
SCHEMBL5665906 0.86 HRH3 (0.93) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL9126300 0.83 HRH3 (1.00) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL9371058 0.83 HRH3 (1.00) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL3156252 0.83 HRH3 (1.00) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL15933346 0.83 HRH3 (1.00) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed
US-20150119345-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF GASTROINTESTINAL INFECTIONS Lumena Pharmaceuticals, Inc. (US) 2015-04-30 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-20150119345-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF GASTROINTESTINAL INFECTIONS SLC10A2, SLC10A1, NR1H4 HRH3 590/4885MAPT 3019/4885CYP1A2 1773/4885

“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.