SCHEMBL4215401

SCHEMBL4215401

COc1cccc2c1C[C@@H](N1CCCC1)CC2

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.55
CHRM1 P11229 2/20 0.55
CHRM3 P20309 2/20 0.55
SIGMAR1 Q99720 1/20 0.52
HTR1D P28221 2/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL11393302 0.99 SIGMAR1 (0.54) CHRM2CHRM1CHRM3SIGMAR1HTR1D
SCHEMBL8677765 0.99 SIGMAR1 (0.54) CHRM2CHRM1CHRM3SIGMAR1HTR1D
Hydrochloric Acid SCHEMBL7935858 0.97 SIGMAR1 (0.53) CHRM2CHRM1CHRM3SIGMAR1HTR1D
Hydrochloric Acid SCHEMBL7933015 0.97 SIGMAR1 (0.53) CHRM2CHRM1CHRM3SIGMAR1HTR1D
SCHEMBL9727207 0.97 CHRM2 (0.55) CHRM2CHRM1CHRM3SIGMAR1MTNR1A
SCHEMBL9239027 0.90 DRD2 (0.54) CHRM2CHRM1CHRM3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL9242362 0.89 DRD2 (0.52) CHRM2CHRM1CHRM3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL9243515 0.89 DRD2 (0.52) CHRM2CHRM1CHRM3SIGMAR1DRD2
SCHEMBL8674841 0.89 CHRM2 (0.56) CHRM2CHRM1CHRM3SIGMAR1MTNR1A
Hydrochloric Acid SCHEMBL7932854 0.87 CHRM2 (0.55) CHRM2CHRM1CHRM3SIGMAR1MTNR1A

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
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-1888517-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126939-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO 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-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor HTR6, HTR1A, HTR1D CHRM2 49/4885CHRM1 67/4885CHRM3 42/4885

“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.