SCHEMBL21775647

SCHEMBL21775647

Cc1cc2c(OC[C@H](O)CNC(C)C)nccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.46
▸ ADRB1 P08588 7/20 0.46
▸ ADRB3 P13945 4/20 0.45
▸ CYP2D6 P10635 4/20 0.45
▸ SLC6A2 P23975 3/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ SLC6A4 P31645 3/20 0.43
▸ HTR2B P41595 3/20 0.43
▸ SIGMAR1 Q99720 3/20 0.43
▸ NR2E1 Q9Y466 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ SCN1A P35498 2/20 0.43

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
SCHEMBL21792724 1.00 ADRB2 (0.46) ADRB2ADRB1ADRB3CYP2D6SLC6A2
SCHEMBL11825484 0.85 CYP2D6 (0.46) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL11861225 0.85 CYP2D6 (0.46) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL20552698 0.76 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP2D6SLC6A2
SCHEMBL30001731 0.76 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP2D6SLC6A2
SCHEMBL11623257 0.75 ADRB2 (0.66) ADRB2ADRB1ADRB3CYP2D6SLC6A2
SCHEMBL11628396 0.74 ADRB2 (0.48) ADRB2ADRB1ADRB3CYP2D6SLC6A2
SCHEMBL11194894 0.74 ADRB1 (0.54) ADRB2ADRB1ADRB3CYP2D6SLC6A2
SCHEMBL21775528 0.73 MALT1 (0.31) —
SCHEMBL13148965 0.73 ADRB2 (0.65) ADRB2ADRB1ADRB3CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 — — US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — 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 (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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 ADRB2 61/4885ADRB1 129/4885ADRB3 79/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ADRB2 61/4885ADRB1 129/4885ADRB3 79/4885

“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.

Send feedback