SCHEMBL20439114

SCHEMBL20439114

CC(C)(C)C(=O)N1CCC(CN)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
CHRM3 P20309 4/20 0.49
NCF1 P14598 1/20 0.47
AOC2 O75106 1/20 0.42
CXCR3 P49682 1/20 0.41
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39
DPP4 P27487 1/20 0.37
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL10223202 0.89 CHRM2 (0.43) CHRM2CHRM1CHRM3NCF1AOC2
SCHEMBL14147384 0.87 CHRM2 (0.51) CHRM2CHRM1CHRM3NCF1PLG
SCHEMBL15945549 0.82 THRA (0.42) CHRM2CHRM1CHRM3AOC2CXCR3
SCHEMBL3316595 0.82 EPHX2 (0.41) AOC2CXCR3CNR2DPP4DRD2
SCHEMBL10215111 0.82 AOC2 (0.43) AOC2CXCR3CNR2DPP4DRD2
SCHEMBL3316244 0.81 CXCR3 (0.38) AOC2CXCR3CNR2DPP4ITGB3
SCHEMBL18997472 0.81 GNAI3 (0.43) AOC2CXCR3CNR2DPP4DRD2
SCHEMBL18702106 0.80 CNR2 (0.35) CHRM2CHRM1CHRM3NCF1AOC2
SCHEMBL12308621 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM3NCF1ITGB3
SCHEMBL3119356 0.79 ALDH1A1 (0.39) CHRM2CHRM1CHRM3AOC2CXCR3

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-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-23 US disclosed
US-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-16 US disclosed
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same Frequency Therapeutics, Inc. (US) 2019-08-20 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 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-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 CHRM2 4881/4885CHRM1 4884/4885CHRM3 4860/4885
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 CHRM2 4857/4885CHRM1 4788/4885CHRM3 4879/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 CHRM2 4737/4885CHRM1 4660/4885CHRM3 4561/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 CHRM2 4845/4885CHRM1 4862/4885CHRM3 4799/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 CHRM2 4857/4885CHRM1 4788/4885CHRM3 4879/4885

“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.