SCHEMBL17345657

SCHEMBL17345657

CCc1cccc2c1CN(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
CYP2D6 P10635 1/20 0.50
DRD2 P14416 5/20 0.49
DRD3 P35462 4/20 0.49
DRD1 P21728 3/20 0.49
DRD5 P21918 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DRD4 P21917 3/20 0.48
HTR2A P28223 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL14012987 0.87 MAOA (0.50) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL13171752 0.86 MAOA (0.53) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL19697733 0.85 MAOA (0.52) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL19603144 0.81 PNMT (0.54) DRD2DRD1HTR2C
SCHEMBL19603160 0.79 HRH3 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL22839768 0.79 TAAR1 (0.38) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL19603149 0.78 NOTUM (0.59) TAAR1SIGMAR1
SCHEMBL19603147 0.78 DRD2 (0.39) DRD2TAAR1
SCHEMBL19608843 0.78 ESR1 (0.46) DRD2DRD3TAAR1
SCHEMBL7957052 0.77 MAOA (0.59) MAOAMAOBADRA2AADRA2BADRA2C

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
WO-2017214462-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214335-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214282-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 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 (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-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 MAOA 3412/4885MAOB 3361/4885ADRA2A 4253/4885

“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.