SCHEMBL22473874

SCHEMBL22473874

CC(C)c1n[nH]c2c1CN(C(=O)CC(F)(F)F)CCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.38
BRD4 O60885 2/20 0.38
DPP4 P27487 5/20 0.36
DPP7 Q9UHL4 5/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 3/20 0.36
CFTR P13569 3/20 0.35
MAPK1 P28482 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
EP300 Q09472 4/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM5A P29375 1/20 0.33
RBP4 P02753 1/20 0.33
KDR P35968 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL17229732 0.93 CREBBP (0.45) CREBBPBRD4DPP4DPP7DPP8
SCHEMBL19297287 0.88 RBP4 (0.38) CREBBPBRD4DPP4DPP7DPP8
SCHEMBL19413422 0.87 DPP4 (0.41) CREBBPBRD4DPP4DPP7DPP8
SCHEMBL17232680 0.85 CREBBP (0.40) CREBBPBRD4DPP4DPP7DPP8
SCHEMBL17229760 0.85 CREBBP (0.52) CREBBPBRD4MAPK1PLA2G1BATG4B
SCHEMBL17465959 0.84 CREBBP (0.40) CREBBPBRD4DPP4DPP7DPP8
SCHEMBL17229733 0.84 CREBBP (0.40) CREBBPBRD4DPP4DPP7DPP8
SCHEMBL17229758 0.83 CGAS (0.42) CREBBPBRD4CFTRMAPK1PLA2G1B
SCHEMBL17229725 0.82 CREBBP (0.39) CREBBPBRD4MAPK1PLA2G1BATG4B
SCHEMBL17465960 0.81 MAPK1 (0.47) CREBBPBRD4MAPK1PLA2G1BATG4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 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 (1 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-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS CREBBP 2642/4885BRD4 1651/4885DPP4 115/4885

“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.