SCHEMBL2882445

SCHEMBL2882445

CS(=O)(=O)N[C@H]1C[C@H](CO)CCc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.40
KCNH2 Q12809 11/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ADORA2A P29274 1/20 0.34
GRIA2 P42262 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
SCHEMBL2884939 0.82 OPRL1 (0.36) OPRL1KCNH2HDAC1HDAC6MAOA
SCHEMBL2881576 0.81 OPRL1 (0.36) OPRL1KCNH2HDAC1HDAC6
SCHEMBL2883839 0.75 OPRL1 (0.59) OPRL1KCNH2
SCHEMBL2884942 0.71 ADORA2A (0.30) ADORA2A
SCHEMBL26120988 0.70 DRD2 (0.41) OPRL1KCNH2
SCHEMBL14893181 0.70 OPRL1 (0.40) OPRL1KCNH2HDAC1HDAC6
SCHEMBL2877878 0.68 OPRL1 (0.39) OPRL1KCNH2
SCHEMBL2883261 0.68 OPRL1 (0.39) OPRL1KCNH2
SCHEMBL14012294 0.67 TRPV1 (0.52) HDAC1HDAC6TRPV1ADORA2A
SCHEMBL31678106 0.67 TRPV1 (0.52) HDAC1HDAC6TRPV1ADORA2A

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-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 OPRL1 1/4885KCNH2 969/4885HDAC1 3132/4885

“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.