SCHEMBL4374453

SCHEMBL4374453

CCN1CCCCCC1CN

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
PIM1 P11309 1/20 0.35
KMT2A Q03164 2/20 0.34
SLC6A4 P31645 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
SCHEMBL4368176 0.98 L3MBTL1 (0.42) L3MBTL1ALDH1A1HTTCYP1A2S1PR1
Bromide SCHEMBL10745331 0.96 L3MBTL1 (0.41) L3MBTL1ALDH1A1HTTS1PR1S1PR3
Hydrochloric Acid SCHEMBL9582171 0.96 L3MBTL1 (0.41) L3MBTL1ALDH1A1HTTS1PR1S1PR3
SCHEMBL299670 0.91
SCHEMBL132799 0.91
SCHEMBL335433 0.91
Hydrochloric Acid SCHEMBL2673114 0.89 L3MBTL1 (0.46) L3MBTL1ALDH1A1HTTPIM1KMT2A
Hydrochloric Acid SCHEMBL14888081 0.89 L3MBTL1 (0.46) L3MBTL1ALDH1A1HTTPIM1KMT2A
Hydrochloric Acid SCHEMBL14311857 0.89 L3MBTL1 (0.46) L3MBTL1ALDH1A1HTTPIM1KMT2A
SCHEMBL4370595 0.84 S1PR1 (0.40) HTTCYP1A2S1PR1S1PR3S1PR5

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-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 EP 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-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 L3MBTL1 2200/4885ALDH1A1 1467/4885HTT 2539/4885

“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.