SCHEMBL2496866

SCHEMBL2496866

COc1cc2c(cc1Cl)CCC21CCNC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.44
HTR2B P41595 7/20 0.44
HTR2A P28223 7/20 0.44
GAA P10253 1/20 0.36
CRBN Q96SW2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 1/20 0.33
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
MAPK10 P53779 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
SCHEMBL2496848 0.73 HTR2A (0.55) HTR2CHTR2BHTR2ACRBN
SCHEMBL2499345 0.72 HTR2C (0.47) HTR2CHTR2BHTR2ACRBNSIGMAR1
Hydrochloric Acid SCHEMBL2492938 0.72 HTR2A (0.54) HTR2CHTR2BHTR2ACRBN
Hydrochloric Acid SCHEMBL2493252 0.71 HTR2C (0.46) HTR2CHTR2BHTR2ACRBNSIGMAR1
SCHEMBL13673173 0.70 HTR2A (0.42) HTR2CHTR2BHTR2A
SCHEMBL1105041 0.70 HTR2C (0.60) HTR2CHTR2BHTR2ADRD1DRD5
SCHEMBL24175762 0.69 HTR2A (0.35) HTR2CHTR2BHTR2AGAANPC1
SCHEMBL21762549 0.69 HTR2C (0.64) HTR2CHTR2BHTR2AGAADRD1
SCHEMBL10324926 0.68 HTR2A (0.41) HTR2CHTR2BHTR2AGAANPC1
SCHEMBL2496854 0.68 SIGMAR1 (0.52) HTR2CHTR2BHTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 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-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS NR3C2, DRD3, TACR1 HTR2C 170/4885HTR2B 517/4885HTR2A 428/4885

“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.