SCHEMBL6368709

SCHEMBL6368709

C1CCC(C(NC2=NCCO2)C2CCCCC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.83
ADRA2B P18089 13/20 0.83
ADRA2C P18825 12/20 0.83
ADRA1A P35348 5/20 0.83
NISCH Q9Y2I1 3/20 0.83
CYP3A4 P08684 2/20 0.83
GMNN O75496 1/20 0.83
CYP1A2 P05177 1/20 0.83
HTR1A P08908 1/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C9 P11712 1/20 0.83
TSHR P16473 1/20 0.83
OPRK1 P41145 1/20 0.83
HIF1A Q16665 1/20 0.83
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
NFKB1 P19838 1/20 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
Rilmenidine SCHEMBL15516636 0.91 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ANISCH
Rilmenidine SCHEMBL114420 0.91 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL6369410 0.83 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL6367795 0.83 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL6367792 0.83 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1ANISCH
Rilmenidine SCHEMBL1231349 0.81 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL11137918 0.79 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1ANISCH
Rilmenidine SCHEMBL30892124 0.78 CYP3A4 (1.00) ADRA2AADRA2BADRA2CADRA1ANISCH
Rilmenidine SCHEMBL6373730 0.78 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL11140210 0.77 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1ANISCH

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
CN-119497589-A Therapeutic combinations, compositions and methods for designing and producing conditions that promote mental well-being 心境设计实验室股份有限公司 2025-02-21 CN disclosed
US-20050119461-A1 Novel receptor, and compounds which bind thereto THE UNIVERSITY OF MELBOURNE 2005-06-02 US disclosed
EP-1044194-A4 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS UNIV MELBOURNE (AU) 2002-01-09 EP disclosed
EP-1044194-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 2000-10-18 EP disclosed
WO-1999024411-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 1999-05-20 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 (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-20050119461-A1 Novel receptor, and compounds which bind thereto GPR27, GPR174, GPR52 ADRA2A 137/4885ADRA2B 98/4885ADRA2C 33/4885

“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.