SCHEMBL2492636

SCHEMBL2492636

Brc1ccc2c(c1)CCCC21CCNC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
BACE1 P56817 4/20 0.38
APP P05067 1/20 0.38
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 4/20 0.33
PARP10 Q53GL7 2/20 0.33
TDP2 O95551 1/20 0.33
PARP11 Q9NR21 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
PARP1 P09874 1/20 0.33
KDM1A O60341 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL2498088 0.91 PNMT (0.45) PNMTASIC3BACE1HTR2AHTR2C
SCHEMBL2501672 0.89 BACE1 (0.45) PNMTASIC3BACE1APPHTR2A
SCHEMBL28549228 0.82 DRD2 (0.41) HTR2ASIGMAR1DRD2DRD3
SCHEMBL29067338 0.81 PNMT (0.47) PNMTASIC3BACE1HTR2AHTR2C
SCHEMBL2494957 0.80 KDM1A (0.45) PNMTASIC3BACE1APPHTR2A
SCHEMBL2501566 0.78 KDM1A (0.52) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL14386031 0.78 SIGMAR1 (0.34) HTR2ASIGMAR1CRBN
SCHEMBL1222440 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL29799152 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BSIGMAR1DRD2
Hydrochloric Acid SCHEMBL31136797 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2

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
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

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 PNMT 3044/4885ASIC3 1060/4885BACE1 4282/4885

“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.