SCHEMBL2494957

SCHEMBL2494957

Brc1ccc2c(c1)C1(CCNC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
PNMT P11086 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
HTR2A P28223 4/20 0.40
CRBN Q96SW2 1/20 0.39
BACE1 P56817 2/20 0.38
APP P05067 1/20 0.38
HTR2C P28335 4/20 0.37
HTR2B P41595 1/20 0.37
PARP10 Q53GL7 2/20 0.36
PARP1 P09874 1/20 0.36
SLC18A3 Q16572 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CMA1 P23946 1/20 0.34
AHR P35869 1/20 0.34
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TDP2 O95551 1/20 0.33
PARP11 Q9NR21 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
SCHEMBL2501672 0.90 BACE1 (0.45) KDM1APNMTASIC3HTR2ACRBN
SCHEMBL18373193 0.90 KDM1A (0.47) KDM1APNMTASIC3HTR2ABACE1
SCHEMBL2498088 0.89 PNMT (0.45) KDM1APNMTASIC3HTR2ACRBN
SCHEMBL2496848 0.80 HTR2A (0.55) KDM1APNMTHTR2ACRBNHTR2C
SCHEMBL2498411 0.80 KDM1A (0.45) KDM1AHTR2ACRBNHTR2CHTR2B
SCHEMBL12077824 0.80 KDM1A (0.55) KDM1APNMTASIC3HTR2ABACE1
SCHEMBL2492636 0.80 PNMT (0.42) KDM1APNMTASIC3HTR2ACRBN
Hydrochloric Acid SCHEMBL2492938 0.79 HTR2A (0.54) KDM1APNMTHTR2ACRBNHTR2C
SCHEMBL29067338 0.78 PNMT (0.47) KDM1APNMTASIC3HTR2ABACE1
SCHEMBL1222048 0.77 HTR2A (0.61) KDM1AHTR2ACRBNHTR2CSLC18A3

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 KDM1A 4508/4885PNMT 3044/4885ASIC3 1060/4885

“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.