SCHEMBL20152369

SCHEMBL20152369

Cc1cccc(C(O)c2c[nH]cn2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.41
ADRA2B P18089 4/20 0.41
ADRA2C P18825 4/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ADRA1D P25100 2/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A2 P23975 1/20 0.40
HTR7 P34969 1/20 0.40
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
F2RL1 P55085 1/20 0.31

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
Dexmedetomidine SCHEMBL14861666 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL787913 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL12092460 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL26432 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL18497244 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10550880 0.84 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL119382 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL29431568 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
Dexmedetomidine SCHEMBL22476079 0.83 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1B
Medetomidine SCHEMBL22616139 0.83 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1B

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 15 patents. 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 claimed
WO-2020016827-A1 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-01-23 WO claimed
US-20230398098-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2023-12-14 US disclosed
US-20230398098-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2023-12-14 US disclosed
US-20230398098-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2023-12-14 US disclosed
US-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use CLEXIO BIOSCIENCES LTD (IL) 2021-10-21 US disclosed
US-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use CLEXIO BIOSCIENCES LTD (IL) 2021-10-21 US disclosed
US-20210220336-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2021-07-22 US disclosed
US-20210220336-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2021-07-22 US disclosed
EP-3782989-A1 DETOMIDINE HYDROCHLORIDE MONOHYDRATE Sachse, Andreas (DE) 2021-02-24 EP disclosed
WO-2020016827-A4 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-03-19 WO disclosed
WO-2020016827-A1 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-01-23 WO disclosed
WO-2020016827-A1 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-01-23 WO disclosed
WO-2020016827-A1 PURIFIED CRYSTALLINE DETOMIDINE HYDROCHLORIDE MONOHYDRATE, ANHYDRATE AND FREE BASE WITH LOW AMOUNTS OF ISO-DETOMIDINE AND OTHER IMPURITIES BY RECRYSTALLISATION IN WATER CLEXIO BIOSCIENCES LTD. (IL) 2020-01-23 WO disclosed
WO-2018087160-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR USE IN CONTROLLING PARASITIC CRUSTACEANS ON FISH I-TECH AB (SE) 2018-05-17 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 (3 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 ADRA2A 549/4885ADRA2B 634/4885ADRA2C 403/4885
US-20230398098-A1 TOPICAL DETOMIDINE FORMULATIONS QDPR, DDT, DCTD ADRA2A 316/4885ADRA2B 349/4885ADRA2C 165/4885
US-20210220336-A1 TOPICAL DETOMIDINE FORMULATIONS QDPR, DDT, DCTD ADRA2A 316/4885ADRA2B 349/4885ADRA2C 165/4885

“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.