SCHEMBL423786

SCHEMBL423786

Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.57
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
ACKR3 P25106 1/20 0.42

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
SCHEMBL10153765 1.00 F10 (0.57) F10TAS1R3TAS1R1TAS1R2SIGMAR1
SCHEMBL423785 1.00 F10 (0.57) F10TAS1R3TAS1R1TAS1R2SIGMAR1
SCHEMBL6908735 0.86 SIGMAR1 (0.43) F10SIGMAR1
SCHEMBL423432 0.85 CHRNA7 (0.51) F10SIGMAR1
SCHEMBL423433 0.85 CHRNA7 (0.51) F10SIGMAR1
SCHEMBL423431 0.85 CHRNA7 (0.51) F10SIGMAR1
SCHEMBL423256 0.83 CCR2 (0.49) F10
SCHEMBL423255 0.83 CCR2 (0.49) F10
SCHEMBL10153757 0.83 CCR2 (0.49) F10
SCHEMBL422223 0.82 SIGMAR1 (0.45) F10TAS1R3TAS1R1TAS1R2SIGMAR1

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
CN-102482203-B Carbocyclic GLYT1 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 CN disclosed
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US 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-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 F10 3754/4885TAS1R3 942/4885TAS1R1 489/4885
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 F10 3754/4885TAS1R3 942/4885TAS1R1 489/4885

“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.