SCHEMBL607484

SCHEMBL607484

C#CCO[C@H]1CC[C@@H](N2CCC(c3cccc(N)c3N)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.33
ADRA1D P25100 4/20 0.33
ADRA1A P35348 4/20 0.33
ADRA1B P35368 4/20 0.33
SLC2A1 P11166 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CHRM1 P11229 4/20 0.31
CHRM4 P08173 3/20 0.31
CHRM2 P08172 2/20 0.31
SLC18A3 Q16572 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
OPRM1 P35372 2/20 0.30
OPRL1 P41146 2/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL604269 1.00 DRD2 (0.33) DRD2ADRA1DADRA1AADRA1BSLC2A1
SCHEMBL604270 1.00 DRD2 (0.33) DRD2ADRA1DADRA1AADRA1BSLC2A1
SCHEMBL604342 0.85 CHRM4 (0.38) DRD2ADRA1DADRA1AADRA1BUSP30
SCHEMBL604341 0.85 CHRM4 (0.38) DRD2ADRA1DADRA1AADRA1BUSP30
SCHEMBL608210 0.82 CHRM4 (0.36) DRD2ADRA1DADRA1AADRA1BUSP30
SCHEMBL608209 0.82 CHRM4 (0.36) DRD2ADRA1DADRA1AADRA1BUSP30
SCHEMBL550734 0.76 SLC18A3 (0.53) DRD2SLC18A3PDCD1CD274OPRM1
SCHEMBL10203597 0.72 CHRM1 (0.37) CHRM1CHRM4CHRM2
SCHEMBL608254 0.69 IRAK4 (0.35)
SCHEMBL604633 0.69 IRAK4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 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 (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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 DRD2 225/4885ADRA1D 113/4885ADRA1A 111/4885

“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.