SCHEMBL20152370

SCHEMBL20152370

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CASR P41180 1/20 0.32

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
SCHEMBL31257140 1.00 TRPA1 (0.35) TRPA1ATMGABRA1GABRB2CASR
SCHEMBL10548882 0.88 CASR (0.42) GABRA1GABRB2CASR
SCHEMBL10551320 0.86 TRPA1 (0.36) TRPA1ATMGABRA1GABRB2
SCHEMBL11974108 0.84 GABRA1 (0.33) TRPA1ATMGABRA1GABRB2
SCHEMBL29004016 0.79 GABRA1 (0.30) TRPA1ATMGABRA1GABRB2
SCHEMBL10549419 0.77 CNR1 (0.32)
SCHEMBL3418139 0.77 PARP1 (0.35)
SCHEMBL2497583 0.76 CASR (0.34) GABRA1GABRB2CASR
SCHEMBL10548403 0.76 SMN1; SMN2 (0.34) CASR
SCHEMBL10549035 0.76 TRPA1 (0.35) TRPA1ATMGABRA1GABRB2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055009-B1 METHOD FOR PREPARING DEXMEDETOMIDINE NORCHIM (FR) 2023-10-11 EP disclosed
US-11718586-B2 Method for preparing dexmedetomidine NORCHIM (FR) 2023-08-08 US disclosed
US-11718586-B2 Method for preparing dexmedetomidine NORCHIM (FR) 2023-08-08 US 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 (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-11718586-B2 Method for preparing dexmedetomidine ADH1C, ADH1A, ADH5 TRPA1 4517/4885ATM 4147/4885GABRA1 669/4885

“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.