SCHEMBL21856446

SCHEMBL21856446

CC(C)(C)OC(=O)Cc1cncnc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
SSTR4 P31391 3/20 0.35
GPR119 Q8TDV5 3/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
NTRK1 P04629 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
RORC P51449 1/20 0.32
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL31583156 0.80 CNR2 (0.36) MTNR1AMTNR1BGPR119CCNB2CCNE2
SCHEMBL21856460 0.74 MTNR1A (0.43) MTNR1AMTNR1BSSTR4ALOX5APFEN1
SCHEMBL25907123 0.74 ALOX5AP (0.37) MTNR1AMTNR1BCCNB2CCNE2CDK1
SCHEMBL25719796 0.74 CYP11B2 (0.33) ALDH1A1CYP11B2
SCHEMBL21774644 0.73 TRPV3 (0.37) MTNR1AMTNR1BALOX5APFEN1RORC
SCHEMBL21856401 0.71 GPR119 (0.33) SSTR4GPR119CNR2
SCHEMBL17316549 0.69 CACNA1G (0.40) MTNR1AMTNR1BGPR119ALOX5APFEN1
SCHEMBL3821791 0.68 AOC1 (0.36) CYP11B2
SCHEMBL31582800 0.68 L3MBTL1 (0.35) MTNR1AMTNR1BSSTR4ALOX5APFEN1
SCHEMBL20337752 0.68 CSNK1D (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528803-B2 Inhibitors of αvβ6 integrin MORPHIC THERAPEUTIC, INC. (US) 2026-01-20 US disclosed
EP-3844162-B1 INHIBITORS OF ALPHA V BETA6 INTEGRIN MORPHIC THERAPEUTIC INC (US) 2025-01-01 EP disclosed
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 US disclosed
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 US disclosed
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 US disclosed
EP-3844162-A1 INHIBITORS OF av beta6 INTEGRIN Morphic Therapeutic, Inc. (US) 2021-07-07 EP disclosed
WO-2020081154-A1 INHIBITORS OF ανβ6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-04-23 WO disclosed
WO-2020081154-A1 INHIBITORS OF ανβ6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-04-23 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-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV MTNR1A 3157/4885MTNR1B 2099/4885SSTR4 3351/4885
US-12528803-B2 Inhibitors of αvβ6 integrin ITGB2, ITGB6, ITGA2 MTNR1A 3840/4885MTNR1B 2485/4885SSTR4 2199/4885

“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.