SCHEMBL22891271

SCHEMBL22891271

CC(C)(C)CC(=O)N1CCC(N2CCC(C#N)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.42
KDM2B Q8NHM5 1/20 0.37
CHRM1 P11229 1/20 0.35
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL22891321 0.92 DPP4 (0.41) DPP4KDM2BMEN1KMT2A
SCHEMBL26148290 0.92 DPP4 (0.41) DPP4KDM2BMEN1KMT2A
SCHEMBL26148292 0.92 DPP4 (0.44) DPP4FAAHMEN1KMT2ATP53
SCHEMBL26148276 0.92 DPP4 (0.44) DPP4KDM2BCHRM1FAAHMEN1
SCHEMBL19432541 0.86 DPP4 (0.44) DPP4FAAH
SCHEMBL13282679 0.85 DPP4 (0.49) DPP4FAAH
SCHEMBL18909248 0.85 KDM2B (0.42) KDM2BCHRM1
SCHEMBL22891284 0.81 DPP4 (0.41) DPP4KMT2ATP53TDP1
SCHEMBL22891211 0.81 DPP4 (0.41) DPP4KMT2ATP53TDP1
SCHEMBL22030937 0.81 DPP4 (0.41) DPP4KMT2ATP53TDP1

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-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-01-14 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 (4 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-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 DPP4 1302/4885KDM2B 788/4885CHRM1 4792/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 DPP4 1158/4885KDM2B 1661/4885CHRM1 4855/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 DPP4 1302/4885KDM2B 788/4885CHRM1 4792/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 DPP4 1158/4885KDM2B 1661/4885CHRM1 4855/4885

“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.