SCHEMBL9911042

SCHEMBL9911042

CCc1cccc2c1OCCN2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
MTNR1A P48039 6/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKT1 P31749 1/20 0.36
AR P10275 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC5A2 P31639 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
SCHEMBL20354332 0.83 GABRA1 (0.42) ADORA2AADORA1HCRTR1HCRTR2TAAR1
SCHEMBL305910 0.83 ADORA2A (0.46) ADORA2AADORA1HCRTR1HCRTR2DRD2
Propionic Acid SCHEMBL2687317 0.79 DRD2 (0.40) ADORA2AADORA1HCRTR1HCRTR2DRD2
SCHEMBL25015239 0.78 ALDH1A1 (0.40) ADORA2AADORA1TAAR1DRD2HTR1A
Propionic Acid SCHEMBL2686240 0.77 NOTUM (0.41) ADORA2AADORA1HCRTR1HCRTR2DRD2
Propionic Acid SCHEMBL2637824 0.77 ADORA2A (0.45) ADORA2AADORA1HCRTR1HCRTR2DRD2
SCHEMBL18665582 0.77 KDM4E (0.43) ADORA2AADORA1DRD2HTR1AMTNR1A
SCHEMBL4898912 0.77 ALDH1A1 (0.44) ADORA2AADORA1TAAR1DRD2HTR1A
SCHEMBL31170723 0.77 ALDH1A1 (0.44) ADORA2AADORA1TAAR1DRD2HTR1A
SCHEMBL21316386 0.76 ADORA2A (0.38) ADORA2AADORA1DRD2HTR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 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 (2 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ADORA2A 2496/4885ADORA1 3969/4885HCRTR1 3990/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ADORA2A 1225/4885ADORA1 2043/4885HCRTR1 422/4885

“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.