SCHEMBL6677973

SCHEMBL6677973

c1cc2c(c(C3CC3)c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.49
HTR2A P28223 17/20 0.49
DRD3 P35462 17/20 0.49
SLC9A1 P19634 2/20 0.47
MTNR1B P49286 1/20 0.46
SLC9A5 Q14940 1/20 0.45
SLC9A2 Q9UBY0 1/20 0.45

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
SCHEMBL9934153 0.88 HTR2C (0.46) DRD2HTR2ADRD3SLC9A1
SCHEMBL9977563 0.80 DRD2 (0.62) DRD2HTR2ADRD3
SCHEMBL17781855 0.79 SLC9A1 (0.46) DRD2HTR2ADRD3SLC9A1MTNR1B
SCHEMBL19699408 0.79 SLC9A1 (0.46) DRD2HTR2ADRD3SLC9A1MTNR1B
SCHEMBL19690310 0.79 SLC9A1 (0.46) DRD2HTR2ADRD3SLC9A1MTNR1B
SCHEMBL8489071 0.77 SLC9A1 (0.53) DRD2HTR2ADRD3SLC9A1MTNR1B
SCHEMBL8489075 0.77 MTNR1B (0.56) DRD2HTR2ADRD3SLC9A1MTNR1B
SCHEMBL14276384 0.75 SLC9A1 (0.50) DRD2HTR2ADRD3SLC9A1MTNR1B
SCHEMBL18427098 0.74 DRD2 (0.46) DRD2HTR2ADRD3
SCHEMBL6680857 0.74 MTNR1B (0.64) DRD2HTR2ADRD3SLC9A1MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931708-B1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2017-05-10 EP disclosed
US-8558017-B2 Ruthenium (II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2013-01-24 US disclosed
US-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2012-06-14 US disclosed
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 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 (2 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-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 DRD2 833/4885HTR2A 2403/4885DRD3 1232/4885
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 DRD2 833/4885HTR2A 2403/4885DRD3 1232/4885

“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.