SCHEMBL4370595

SCHEMBL4370595

CCCN1CCCCCC1CN

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR5 Q9H228 3/20 0.40
CYP1A2 P05177 1/20 0.39
S1PR4 O95977 1/20 0.36
KCNK3 O14649 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.34
SPHK2 Q9NRA0 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.33
NCF1 P14598 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4372918 0.98 S1PR1 (0.41) S1PR1S1PR3S1PR5CYP1A2S1PR4
SCHEMBL9155196 0.92 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4HTT
SCHEMBL4375455 0.92 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4HTT
SCHEMBL28211526 0.87 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL4374453 0.84 L3MBTL1 (0.41) S1PR1S1PR3S1PR5CYP1A2HTT
SCHEMBL9037919 0.82 TSHR (0.44) S1PR1S1PR3S1PR5CYP1A2S1PR4
SCHEMBL4368176 0.82 L3MBTL1 (0.42) S1PR1S1PR3S1PR5CYP1A2HTT
SCHEMBL7277972 0.81 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL856300 0.81 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7278231 0.81 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2

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 S1PR1 4815/4885S1PR3 4725/4885S1PR5 4748/4885

“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.