SCHEMBL2501672

SCHEMBL2501672

Brc1ccc2c(c1)C1(CCC2)CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
APP P05067 1/20 0.45
PNMT P11086 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
KDM1A O60341 1/20 0.40
HTR2A P28223 5/20 0.38
HTR2C P28335 4/20 0.36
HTR2B P41595 1/20 0.36
PARP10 Q53GL7 2/20 0.34
PARP1 P09874 1/20 0.34
CRBN Q96SW2 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
AKR1B1 P15121 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL2494957 0.90 KDM1A (0.45) BACE1APPPNMTASIC3KDM1A
SCHEMBL2492636 0.89 PNMT (0.42) BACE1APPPNMTASIC3KDM1A
SCHEMBL30643149 0.81 BACE1 (0.53) BACE1APPPNMTASIC3KDM1A
SCHEMBL18373193 0.80 KDM1A (0.47) BACE1APPPNMTASIC3KDM1A
SCHEMBL2498088 0.79 PNMT (0.45) BACE1PNMTASIC3KDM1AHTR2A
SCHEMBL1222440 0.79 HTR2A (0.57) HTR2AHTR2CHTR2BDRD2AKR1B1
SCHEMBL29799152 0.79 HTR2A (0.57) HTR2AHTR2CHTR2BDRD2AKR1B1
SCHEMBL30496378 0.79 PNMT (0.43) BACE1APPPNMTASIC3KDM1A
SCHEMBL30496393 0.79 PNMT (0.43) BACE1APPPNMTASIC3KDM1A
SCHEMBL2496854 0.78 SIGMAR1 (0.52) KDM1AHTR2AHTR2CHTR2BSIGMAR1

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 BACE1 4282/4885APP 4402/4885PNMT 3044/4885

“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.