SCHEMBL2399221

SCHEMBL2399221

[c]1c(C2CCCc3ccccc32)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR1A P08908 1/20 0.43
OPRM1 P35372 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
GID4 Q8IVV7 1/20 0.42
IDO1 P14902 2/20 0.41
HAO1 Q9UJM8 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL1504258 0.91 ADRA1A (0.41) ADRA2AADRA1AIDO1CHRNA7SIGMAR1
SCHEMBL78975 0.79 ADRA2A (0.43) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL5521623 0.77 ADRA2A (0.42) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL11380019 0.76 GID4 (0.40) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL7498131 0.75 PRCP (0.51) MEN1KMT2AGID4
SCHEMBL17760557 0.74 ADRA2A (0.45) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL8967058 0.73 ADRA2A (0.47) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL22319970 0.72 GID4 (0.61) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL4721678 0.72 ALDH1A1 (0.30) CYP2D6ALDH1A1
SCHEMBL4721538 0.72 CYP1B1 (0.32) CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261588-B1 IMIDAZOLE COMPOUNDS AS Alpha2-ADRENOCEPTORS ANTAGONISTS ORION CORP (FI) 2004-10-20 EP claimed
US-6388090-B2 IMIDAZOLE DERIVATIVES CONTAINING BICYCLIC AROMATIC OR AN HETEROCYCLIC RING FUSED WITH BENZENE EXHIBIT AFFINITY FOR ALPHA2 ADRENOCEPTORS SO TREATS THE DISEASE AFFECTED BY ALPHA2 ADRENOCEPTORS, E.G. NUROLOGICAL, PSYCHIATRIC OR COGNITION ORION CORPORATION (FI) 2002-05-14 US claimed
US-20010056109-A1 Imidazole derivatives ORION CORPORATION (FI) 2001-12-27 US claimed
US-8017649-B2 Flavonoid compounds and uses thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2011-09-13 US disclosed
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 US disclosed
EP-1261588-B1 IMIDAZOLE COMPOUNDS AS Alpha2-ADRENOCEPTORS ANTAGONISTS ORION CORP (FI) 2004-10-20 EP disclosed
US-6388090-B2 IMIDAZOLE DERIVATIVES CONTAINING BICYCLIC AROMATIC OR AN HETEROCYCLIC RING FUSED WITH BENZENE EXHIBIT AFFINITY FOR ALPHA2 ADRENOCEPTORS SO TREATS THE DISEASE AFFECTED BY ALPHA2 ADRENOCEPTORS, E.G. NUROLOGICAL, PSYCHIATRIC OR COGNITION ORION CORPORATION (FI) 2002-05-14 US disclosed
US-20010056109-A1 Imidazole derivatives ORION CORPORATION (FI) 2001-12-27 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-20010056109-A1 Imidazole derivatives ADRB2, ADRB1, ADRA1D ADRA2A 8/4885ADRA1A 4/4885CYP2D6 267/4885
US-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 ADRA2A 2496/4885ADRA1A 2072/4885CYP2D6 297/4885

“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.