SCHEMBL20696902

SCHEMBL20696902

CC(C)C(=O)NC1CCC1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATM Q13315 1/20 0.31
NEU4 Q8WWR8 1/20 0.30
NEU1 Q99519 1/20 0.30
FASN P49327 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL20688097 1.00 CHRNB4 (0.33) CHRNB4CHRNA3MTNR1AMTNR1BCYP1A2
SCHEMBL20696888 1.00 CHRNB4 (0.33) CHRNB4CHRNA3MTNR1AMTNR1BCYP1A2
SCHEMBL20688098 1.00 CHRNB4 (0.33) CHRNB4CHRNA3MTNR1AMTNR1BCYP1A2
SCHEMBL20688434 1.00 CHRNB4 (0.33) CHRNB4CHRNA3MTNR1AMTNR1BCYP1A2
SCHEMBL621014 0.88 TAS1R3 (0.38) CHRNB4CHRNA3ATM
SCHEMBL16373137 0.88 PTGS1 (0.38) CHRNB4CHRNA3ATM
SCHEMBL19755664 0.88 PTGS1 (0.38) CHRNB4CHRNA3ATM
SCHEMBL21100961 0.88 PTGS1 (0.38) CHRNB4CHRNA3ATM
SCHEMBL18347952 0.88 TAS1R3 (0.38) CHRNB4CHRNA3ATM
SCHEMBL13380101 0.88 PTGS1 (0.38) CHRNB4CHRNA3ATM

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
WO-2024026486-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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 (5 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CHRNB4 3883/4885CHRNA3 3424/4885MTNR1A 3366/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CHRNB4 3883/4885CHRNA3 3424/4885MTNR1A 3366/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CHRNB4 3883/4885CHRNA3 3424/4885MTNR1A 3366/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CHRNB4 3883/4885CHRNA3 3424/4885MTNR1A 3366/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CHRNB4 3883/4885CHRNA3 3424/4885MTNR1A 3366/4885

“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.