SCHEMBL3583095

SCHEMBL3583095

Cc1cccc2c1CCC[C@@H]2N[S+]([O-])C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.38
TAS1R1 Q7RTX1 6/20 0.38
TAS1R2 Q8TE23 6/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32
HTR2C P28335 1/20 0.32
OPRL1 P41146 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL19507163 0.93 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL19973512 0.82 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL19973522 0.82 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL19973513 0.82 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL27120859 0.81 DRD2 (0.35)
SCHEMBL30563667 0.81 DRD2 (0.35)
SCHEMBL26962671 0.81 DRD2 (0.35)
SCHEMBL15945562 0.80 LMNA (0.46) TAS1R3TAS1R1TAS1R2ADRA2AADRA2B
SCHEMBL16543123 0.80 LMNA (0.46) TAS1R3TAS1R1TAS1R2ADRA2AADRA2B
SCHEMBL21189270 0.79 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2CA1CA2

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
EP-2128154-B1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-08 EP disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 TAS1R3 323/4885TAS1R1 42/4885TAS1R2 146/4885

“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.