SCHEMBL10189501

SCHEMBL10189501

CC(C)(C)Nc1ccc2c(c1)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
BPTF Q12830 1/20 0.44
PNMT P11086 4/20 0.44
CD44 P16070 1/20 0.44
MAOB P27338 1/20 0.44
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL20319347 0.88 ASIC3 (0.45) ASIC3DRD2DRD3DDB1CRBN
SCHEMBL16847015 0.81 ASIC3 (0.55) ASIC3DRD2DRD3DDB1CRBN
SCHEMBL2484588 0.80 ASIC3 (0.50) ASIC3DRD2DRD3DDB1CRBN
Hydrochloric Acid SCHEMBL1188465 0.77 F2 (0.50) DDB1CRBNF2PLGPLAU
SCHEMBL1861386 0.77 RAPGEF4 (0.50) ADRA2A
SCHEMBL10189462 0.77 HTR6 (0.51) ASIC3DRD2DRD3DDB1CRBN
SCHEMBL8115507 0.75 HTR6 (0.55) ASIC3DRD2DRD3DDB1CRBN
SCHEMBL22743434 0.75 NPC1 (0.46) ADRA2AADRA2BADRA2C
SCHEMBL26440821 0.75 DRD2 (0.49) DRD2PLAU
Hydrochloric Acid SCHEMBL4789165 0.74 HTR6 (0.54) ASIC3DRD2DRD3DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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 (3 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ASIC3 3124/4885DRD2 4788/4885DRD3 4729/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ASIC3 3124/4885DRD2 4788/4885DRD3 4729/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 ASIC3 4717/4885DRD2 3017/4885DRD3 3210/4885

“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.