SCHEMBL23939825

SCHEMBL23939825

Cc1c(C=O)cccc1Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.51
ADRA2A P08913 3/20 0.51
ADRA1A P35348 3/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1B P35368 2/20 0.51
HRH3 Q9Y5N1 7/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HRH4 Q9H3N8 3/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
Detomidine SCHEMBL2626815 0.80 ADRA1D (0.58) ADRA1DADRA2AADRA1AADRA2BADRA2C
Detomidine SCHEMBL29833001 0.80 ADRA1D (0.58) ADRA1DADRA2AADRA1AADRA2BADRA2C
Detomidine SCHEMBL29371271 0.79 ADRA1D (0.59) ADRA1DADRA2AADRA1AADRA2BADRA2C
Detomidine SCHEMBL21624995 0.78 ADRA1D (0.55) ADRA1DADRA2AADRA1AADRA2BADRA2C
Detomidine SCHEMBL22999498 0.77 ADRA1D (0.54) ADRA1DADRA2AADRA1AADRA2BADRA2C
SCHEMBL31253907 0.76 ADRA1D (0.50) ADRA1DADRA2AADRA1AADRA2BADRA2C
SCHEMBL5201429 0.73 ADRA1A (0.48) ADRA1DADRA2AADRA1AADRA2BADRA2C
SCHEMBL2626816 0.72 ADRA1D (0.55) ADRA1DADRA2AADRA1AADRA2BADRA2C
SCHEMBL26960858 0.72 ADRA1D (0.51) ADRA1DADRA2AADRA1AADRA2BADRA2C
SCHEMBL23646734 0.71 ALDH1A1 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use CLEXIO BIOSCIENCES LTD (IL) 2021-10-21 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-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use QDPR, DCTD, NEFM ADRA1D 529/4885ADRA2A 549/4885ADRA1A 725/4885

“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.