SCHEMBL26148281

SCHEMBL26148281

CC(C#N)CN(C)C1CCN(C(=O)CC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
CYP3A4 P08684 1/20 0.38
MCHR1 Q99705 1/20 0.34
PDK2 Q15119 3/20 0.33
FAAH O00519 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CCR5 P51681 1/20 0.32
RET P07949 1/20 0.31
KDM1A O60341 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL26148261 0.79 DPP4 (0.40) DPP4CYP3A4FAAHJAK2JAK1
SCHEMBL18673326 0.76 PIK3CD (0.34)
SCHEMBL22891660 0.76 DPP4 (0.38) DPP4CYP3A4FAAHJAK2JAK1
SCHEMBL17286052 0.74 KDM4E (0.43) KDM4E
SCHEMBL22030873 0.74 CYP3A4 (0.41) DPP4CYP3A4FAAHCCR5
SCHEMBL22030876 0.74 CYP3A4 (0.41) DPP4CYP3A4FAAHCCR5
SCHEMBL22030902 0.72 CYP3A4 (0.39) DPP4CYP3A4MCHR1FAAHCCR5
SCHEMBL22030495 0.72 NPC1 (0.41) DPP4CYP3A4FAAH
SCHEMBL13282679 0.71 DPP4 (0.49) DPP4CYP3A4FAAH
SCHEMBL26425130 0.70 KDM1A (0.45) CYP3A4MCHR1PDK2FAAHCCR5

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 2 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

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-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 DPP4 1158/4885CYP3A4 2930/4885MCHR1 4057/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 DPP4 1302/4885CYP3A4 380/4885MCHR1 3838/4885

“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.