SCHEMBL21783686

SCHEMBL21783686

CC(C)c1cccc2c1cnn2CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.40
ACACB O00763 2/20 0.39
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 1/20 0.36
CNR1 P21554 2/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL16775695 0.80 GABRA1 (0.35) GRM2
SCHEMBL21937624 0.79 GRM2 (0.41) GRM2
SCHEMBL9941587 0.78 DDB1 (0.44) GRM2CNR1ACHECNR2ADORA2A
SCHEMBL27406455 0.77 GRM2 (0.49) GRM2ACACBCNR1ACHECNR2
SCHEMBL25832864 0.77 CHRM2 (0.41) GRM2CHRM2CHRM1CHRM3MAPT
SCHEMBL26141100 0.77 GABRA1 (0.40) MAPT
SCHEMBL15687444 0.75 GRM2 (0.40) GRM2ACACBCNR1ACHECNR2
SCHEMBL19964477 0.73 GABRA1 (0.36) MAPT
SCHEMBL30860962 0.73 GRM2 (0.42) GRM2ACACBCNR1ACHECNR2
SCHEMBL27227914 0.73 GRM2 (0.42) GRM2ACACBCNR1ACHECNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
WO-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV GRM2 2141/4885ACACB 3016/4885CHRM2 1133/4885
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 GRM2 2503/4885ACACB 1394/4885CHRM2 3051/4885

“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.