SCHEMBL2556964

SCHEMBL2556964

Oc1cccc2c1-c1cccc3c1C(C2)N(CCCF)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.75
DRD1 P21728 5/20 0.75
HTR1A P08908 4/20 0.75
TH P07101 4/20 0.75
DRD3 P35462 4/20 0.75
HTR2A P28223 1/20 0.75
KDM4E B2RXH2 2/20 0.61
GMNN O75496 2/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
MAPK1 P28482 2/20 0.61
GFER P55789 2/20 0.61
PMP22 Q01453 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
DRD4 P21917 1/20 0.61
DRD5 P21918 1/20 0.61
RGS12 O14924 1/20 0.61

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
SCHEMBL12284669 1.00 DRD2 (0.75) DRD2DRD1HTR1ATHDRD3
SCHEMBL15180898 0.88 DRD2 (0.87) DRD2DRD1HTR1ATHDRD3
SCHEMBL1203699 0.86 DRD2 (1.00) DRD2DRD1HTR1ATHDRD3
SCHEMBL1203698 0.86 DRD2 (1.00) DRD2DRD1HTR1ATHDRD3
SCHEMBL10754712 0.86 DRD2 (1.00) DRD2DRD1HTR1ATHDRD3
Hydrochloric Acid SCHEMBL10752801 0.85 DRD2 (0.98) DRD2DRD1HTR1ATHDRD3
SCHEMBL1345058 0.83 DRD2 (0.82) DRD2DRD1HTR1ATHDRD3
SCHEMBL1345853 0.83 DRD2 (0.82) DRD2DRD1HTR1ATHDRD3
SCHEMBL1345068 0.81 DRD2 (0.71) DRD2DRD1HTR1ATHDRD3
SCHEMBL1345070 0.81 DRD2 (0.71) DRD2DRD1HTR1ATHDRD3

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-10081600-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2018-09-25 US disclosed
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION 2017-06-15 US disclosed
US-9517279-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2016-12-13 US disclosed
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2013-08-15 US disclosed
WO-2011130530-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-10-20 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 (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-10081600-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof HTR5A, HTR2C, HTR3A DRD2 11/4885DRD1 25/4885HTR1A 7/4885
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD2 11/4885DRD1 25/4885HTR1A 7/4885
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD2 11/4885DRD1 25/4885HTR1A 7/4885

“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.