SCHEMBL3858565

SCHEMBL3858565

COC(=O)C1=CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ DRD2 P14416 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ HTR1A P08908 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL10872139 0.83 HTR2A (0.51) MEN1ALDH1A1RAB9AKMT2AHTR2A
SCHEMBL11508628 0.77 ADRA2A (0.61) MEN1RAB9AKMT2AHTR2ADRD2
SCHEMBL24746500 0.75 HPGD (0.66) MEN1ALDH1A1RAB9AKMT2AHTR2A
SCHEMBL10871232 0.74 HTR2A (0.50) MEN1ALDH1A1RAB9AKMT2AHTR2A
SCHEMBL9033157 0.74 HTR2A (0.74) MEN1ALDH1A1RAB9AKMT2AHTR2A
SCHEMBL10870803 0.73 HPGD (0.56) MEN1ALDH1A1RAB9AKMT2AHTR2A
SCHEMBL10867950 0.73 HTR2A (0.49) MEN1ALDH1A1RAB9AKMT2AHTR2A
Hydrochloric Acid SCHEMBL10867806 0.73 HTR2A (0.49) MEN1ALDH1A1RAB9AKMT2AHTR2A
SCHEMBL6465788 0.73 HTR2A (0.88) RAB9AHTR2ADRD2DRD3ADRA2A
SCHEMBL24746494 0.73 ADRA2A (0.61) HTR2AOPRM1OPRD1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592350-B2 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2009-09-22 — — US disclosed
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 — — US disclosed
EP-1490361-B1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORP (FI) 2007-10-03 — — EP disclosed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 — — US disclosed
EP-1490361-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2004-12-29 — — EP disclosed
WO-2003082866-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2003-10-09 — — 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 (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-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 MEN1 1187/4885ALDH1A1 1315/4885RAB9A 1968/4885
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 MEN1 1187/4885ALDH1A1 1315/4885RAB9A 1968/4885

“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.

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