SCHEMBL9158920

SCHEMBL9158920

O[C@H]1CCN[C@@H](c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GBA1 P04062 1/20 0.39
PRCP P42785 1/20 0.39
CNR2 P34972 1/20 0.37
CHRNA7 P36544 2/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9158907 1.00 SLC18A3 (0.39) SLC18A3SIGMAR1CHRNB2CHRNA4MEN1
SCHEMBL5054915 1.00 SLC18A3 (0.39) SLC18A3SIGMAR1CHRNB2CHRNA4MEN1
SCHEMBL5054919 1.00 SLC18A3 (0.39) SLC18A3SIGMAR1CHRNB2CHRNA4MEN1
SCHEMBL13744292 1.00 SLC18A3 (0.39) SLC18A3SIGMAR1CHRNB2CHRNA4MEN1
SCHEMBL4195137 1.00 SLC18A3 (0.39) SLC18A3SIGMAR1CHRNB2CHRNA4MEN1
SCHEMBL24365527 1.00 SLC18A3 (0.39) SLC18A3SIGMAR1CHRNB2CHRNA4MEN1
SCHEMBL2708040 0.81 KDM1A (0.37) PRCP
SCHEMBL22473286 0.81 KDM1A (0.37) PRCP
SCHEMBL2708049 0.81 KDM1A (0.37) PRCP
SCHEMBL12980157 0.81 KDM1A (0.37) PRCP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 US disclosed
EP-0305180-B1 Enantioselective reduction of ketones HARVARD COLLEGE (US) 1995-03-22 EP disclosed
US-4943635-A OXAZABOROLIDINES AND OXAZABORINES AS CATALYSTS PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1990-07-24 US disclosed
EP-0305180-A2 Enantioselective reduction of ketones THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-03-01 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-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS SNCA, SYNJ1, KCNH2 SLC18A3 547/4885SIGMAR1 651/4885CHRNB2 1699/4885

“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.