SCHEMBL21783731

SCHEMBL21783731

COc1cnc2cccc(C(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.47
MTNR1A P48039 6/20 0.47
KRAS P01116 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL2L11 O43521 1/20 0.38
BCL2L1 Q07817 1/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDPK1 O15530 1/20 0.37
DYRK3 O43781 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL3780018 0.81 MTNR1B (0.48) MTNR1BMTNR1AKRASCYP3A4TSHR
SCHEMBL24916019 0.79 CYP1A1 (0.34) MTNR1BMTNR1AMEN1CYP1A2CYP3A4
SCHEMBL10199247 0.78 GABRA1 (0.36) CYP1A2CYP3A4BCL2L11BCL2L1EGFR
SCHEMBL18905193 0.78 CYP1A2 (0.47) CYP1A2CYP3A4KMT2ABCL2L11BCL2L1
SCHEMBL22766493 0.78 MTNR1B (0.50) MTNR1BMTNR1ACYP1A2CYP3A4CYP2C19
SCHEMBL27947745 0.78 MTNR1B (0.50) MTNR1BMTNR1AMEN1CYP1A2CYP3A4
SCHEMBL24915594 0.77 MTNR1B (0.33) MTNR1BMTNR1AMEN1CYP1A2CYP3A4
SCHEMBL425260 0.77 MTNR1B (0.49) MTNR1BMTNR1AMEN1CYP1A2CYP3A4
SCHEMBL3249749 0.77 MTNR1B (0.52) MTNR1BMTNR1AMEN1KMT2AEGFR
SCHEMBL5265681 0.77 MTNR1B (0.51) MTNR1BMTNR1AMEN1CYP3A4KMT2A

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-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
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20210155629-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2021-05-27 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 (3 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-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 MTNR1B 2716/4885MTNR1A 4004/4885KRAS 1692/4885
US-20210155629-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 MTNR1B 67/4885MTNR1A 50/4885KRAS 4404/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 MTNR1B 3677/4885MTNR1A 3776/4885KRAS 1236/4885

“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.