SCHEMBL21767243

SCHEMBL21767243

CC1Cc2ccccc2CC(C)N1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
OPRM1 P35372 1/20 0.42
IDO1 P14902 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ACHE P22303 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ADRA2A P08913 1/20 0.39
PNMT P11086 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL29711708 0.80 OPRM1 (0.49) TSHROPRM1GRIN2DGRIN3BGRIN1
SCHEMBL18685556 0.80 OPRM1 (0.49) TSHROPRM1GRIN2DGRIN3BGRIN1
SCHEMBL3142111 0.80 OPRM1 (0.49) TSHROPRM1GRIN2DGRIN3BGRIN1
SCHEMBL16982797 0.80 OPRM1 (0.49) TSHROPRM1GRIN2DGRIN3BGRIN1
SCHEMBL1690518 0.78 PNMT (0.58) ADRA2APNMTADRA2BADRA2C
SCHEMBL1690519 0.78 PNMT (0.58) ADRA2APNMTADRA2BADRA2C
SCHEMBL31159189 0.78 PNMT (0.58) ADRA2APNMTADRA2BADRA2C
SCHEMBL1011182 0.78 PNMT (0.58) ADRA2APNMTADRA2BADRA2C
SCHEMBL29590929 0.78 PNMT (0.58) ADRA2APNMTADRA2BADRA2C
SCHEMBL15334650 0.78 PNMT (0.58) ADRA2APNMTADRA2BADRA2C

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-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 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-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 TSHR 477/4885OPRM1 2204/4885IDO1 3302/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 TSHR 477/4885OPRM1 2204/4885IDO1 3302/4885

“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.