SCHEMBL2497472

SCHEMBL2497472

COc1cccc2c1CCCC21CCNC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.39
PNMT P11086 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL17014495 0.84 ALDH1A1 (0.48) SIGMAR1ALDH1A1CYP3A4MAPTADRA2A
SCHEMBL17014372 0.77 ALDH1A1 (0.48) SIGMAR1ALDH1A1CYP3A4MAPTADRA2A
SCHEMBL12260114 0.74 ALDH1A1 (0.51) SIGMAR1ALDH1A1CYP3A4MAPTADRA2A
SCHEMBL11098135 0.74 SIGMAR1 (0.41) SIGMAR1ALDH1A1CYP3A4MAPTPNMT
SCHEMBL8257850 0.73 KCNH2 (0.41) SIGMAR1ALDH1A1CYP3A4MAPTDRD2
SCHEMBL8437292 0.73 DRD2 (0.47) SIGMAR1CYP3A4DRD2DRD3KCNH2
SCHEMBL20955160 0.72 SIGMAR1 (0.51) SIGMAR1MAPTPNMTDRD2DRD3
SCHEMBL13167579 0.72 ALDH1A1 (0.49) SIGMAR1ALDH1A1CYP3A4MAPTHSD11B1
SCHEMBL10609283 0.72 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTHSD11B1SRD5A1
SCHEMBL11814847 0.71 SIGMAR1 (0.47) SIGMAR1CYP3A4PNMTDRD2HTR2C

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 7 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
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 SIGMAR1 9/4885ALDH1A1 2354/4885CYP3A4 2041/4885

“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.