SCHEMBL21636133

SCHEMBL21636133

Cc1ccc(Cc2cnc[nH]2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.57
HRH4 Q9H3N8 3/20 0.56
TAAR1 Q96RJ0 1/20 0.56
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADRA1D P25100 3/20 0.51
CYP2D6 P10635 2/20 0.50

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
SCHEMBL27551589 0.85 HRH3 (0.53) HRH3HRH4TAAR1CYP3A4MAPT
SCHEMBL15390776 0.85 HRH3 (0.60) HRH3HRH4TAAR1MAPT
SCHEMBL18609500 0.79 HRH3 (0.49) HRH3HRH4TAAR1CYP3A4MAPT
SCHEMBL5203578 0.77 ADRA1A (0.53) HRH3HRH4TAAR1CYP3A4MAPT
SCHEMBL28759658 0.73 HRH3 (1.00) HRH3HRH4TAAR1CYP3A4MAPT
SCHEMBL26960858 0.72 ADRA1D (0.51) HRH3HRH4TAAR1CYP3A4MAPT
SCHEMBL27986334 0.72 HRH3 (0.62) HRH3HRH4TAAR1CYP3A4MAPT
SCHEMBL311076 0.72 ESR1 (0.61) CYP3A4MAPTCYP2D6
SCHEMBL31371688 0.72 ESR1 (0.61) CYP3A4MAPTCYP2D6
SCHEMBL30876036 0.72 ESR1 (0.61) CYP3A4MAPTCYP2D6

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 3 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 disclosed
US-20210220336-A1 TOPICAL DETOMIDINE FORMULATIONS CLEXIO BIOSCIENCES LTD. (IL) 2021-07-22 US 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

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-20210323929-A1 Purified Detomidine, Process of Preparing and Methods of Use QDPR, DCTD, NEFM HRH3 1943/4885HRH4 2279/4885TAAR1 2266/4885
US-20210220336-A1 TOPICAL DETOMIDINE FORMULATIONS QDPR, DDT, DCTD HRH3 2172/4885HRH4 1501/4885TAAR1 2142/4885

“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.