SCHEMBL4646022

SCHEMBL4646022

O=C(NC12CC(CCO)CC(C1)C2)c1c(OS(=O)(=O)c2ccccc2)sc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 4/20 0.35
CNR2 P34972 9/20 0.35
ENPP3 O14638 1/20 0.35
CA2 P00918 1/20 0.35
ENPP1 P22413 1/20 0.35
ENPP2 Q13822 1/20 0.35
CA9 Q16790 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4643053 0.73 ACLY (0.41) CNR1CNR2ENPP3CA2ENPP1
SCHEMBL6231818 0.71 ACLY (0.45) CNR1KMT2ACNR2HSD11B1ALDH1A1
SCHEMBL6232295 0.69 LMNA (0.41) CNR1NPC1KMT2ASMN1; SMN2CNR2
SCHEMBL6233316 0.66 HSD11B1 (0.39) KMT2ACA2HSD11B1ALDH1A1MAPT
SCHEMBL5176777 0.65 PTGDR (0.48)
SCHEMBL1578125 0.56 FAAH (0.81) KMT2AFAAHCNR2ALDH1A1MAPT
SCHEMBL1421026 0.56 FAAH (1.00) KMT2AFAAHCNR2ALDH1A1MAPT
SCHEMBL19863263 0.55 FAAH (0.61) KMT2AFAAHCNR2ALDH1A1MAPT
SCHEMBL25248699 0.55 EPHX2 (0.67) NPC1RAB9AKMT2ASMN1; SMN2FAAH
SCHEMBL25808905 0.54 RAB9A (0.53) NPC1RAB9AKMT2ASMN1; SMN2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193243-B1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO (JP) 2008-08-13 EP disclosed
EP-1808427-A2 Novel processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-07-18 EP disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US disclosed
US-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols HONMA TSUNETOSHI (JP) 2004-09-02 US disclosed
US-6723857-B1 NORPINONE TO ITS BENZOTHIOPHENE CARBOXAMIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-04-20 US disclosed
EP-1193243-A1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO., LTD. (JP) 2002-04-03 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-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols DOHH, OXER1, XDH CNR1 236/4885NPC1 970/4885RAB9A 2708/4885

“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.