SCHEMBL10035176

SCHEMBL10035176

Cc1cccc(C)c1OC(C)C1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 16/20 1.00
▸ ADRA2B P18089 16/20 1.00
▸ ADRA2C P18825 16/20 1.00
▸ NISCH Q9Y2I1 5/20 0.71
▸ HTR1A P08908 2/20 0.71
▸ SLC6A4 P31645 1/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ OPRK1 P41145 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ MAOA P21397 5/20 0.63
▸ MAOB P27338 5/20 0.63

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
Dexlofexidine SCHEMBL124602 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHHTR1A
Levlofexidine SCHEMBL947241 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHHTR1A
Lofexidine SCHEMBL48960 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL9917089 0.83 ADRA2A (0.71) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL19961884 0.83 ADRA2A (0.71) ADRA2AADRA2BADRA2CNISCHHTR1A
Hydrochloric Acid SCHEMBL9654915 0.82 NISCH (0.77) ADRA2AADRA2BADRA2CNISCHHTR1A
Lofexidine SCHEMBL22616208 0.82 ADRA2A (0.97) ADRA2AADRA2BADRA2CNISCHHTR1A
Lofexidine SCHEMBL3500726 0.82 ADRA2A (0.97) ADRA2AADRA2BADRA2CNISCHHTR1A
Lofexidine SCHEMBL678553 0.82 ADRA2A (0.97) ADRA2AADRA2BADRA2CNISCHHTR1A
Lofexidine SCHEMBL124601 0.82 ADRA2A (0.97) ADRA2AADRA2BADRA2CNISCHHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 — — WO disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 — — 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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 ADRA2A 331/4885ADRA2B 201/4885ADRA2C 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.

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