SCHEMBL2575374

SCHEMBL2575374

CN1CCc2cc(OCF)cc3c2[C@H]1Cc1cccc(O)c1-3

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.86
DRD3 P35462 2/20 0.86
DRD2 P14416 5/20 0.78
HTR1A P08908 2/20 0.78
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62

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
SCHEMBL12284189 0.93 DRD1 (1.00) DRD1DRD3DRD2HTR1AHTR2A
SCHEMBL12287106 0.93 DRD1 (1.00) DRD1DRD3DRD2HTR1AHTR2A
SCHEMBL15170528 0.92 DRD1 (0.91) DRD1DRD3DRD2HTR1AHTR2A
SCHEMBL15170601 0.92 DRD1 (0.80) DRD1DRD3DRD2HTR1A
SCHEMBL15169930 0.90 DRD1 (0.83) DRD1DRD3DRD2HTR1A
SCHEMBL15170348 0.89 DRD1 (0.86) DRD1DRD3DRD2HTR1AHTR2A
SCHEMBL1204032 0.88 DRD1 (1.00) DRD1DRD3DRD2HTR1AHTR2A
SCHEMBL1204517 0.88 DRD1 (1.00) DRD1DRD3DRD2HTR1AHTR2A
SCHEMBL15170446 0.88 DRD1 (0.87) DRD1DRD3DRD2HTR1AHTR2A
SCHEMBL15170389 0.87 DRD1 (0.86) DRD1DRD3DRD2

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-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION 2017-06-15 US claimed
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2013-08-15 US claimed
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 DRD1 25/4885DRD3 32/4885DRD2 11/4885
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD1 25/4885DRD3 32/4885DRD2 11/4885
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD1 25/4885DRD3 32/4885DRD2 11/4885

“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.