SCHEMBL3335897

SCHEMBL3335897

CC(c1ccccc1)N1CC2CN(C(=O)C(F)(F)F)CCC21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.45
DPP7 Q9UHL4 10/20 0.45
CCR5 P51681 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
KDM1A O60341 1/20 0.40
RIPK1 Q13546 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
DPP9 Q86TI2 1/20 0.36
KMT2A Q03164 1/20 0.36
RBP4 P02753 2/20 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
SCHEMBL6324868 0.91 DPP4 (0.45) DPP4DPP7CCR5DPP8KDM1A
SCHEMBL927342 0.91 DPP4 (0.45) DPP4DPP7CCR5DPP8KDM1A
SCHEMBL654325 0.83 DPP4 (0.42) DPP4DPP7CCR5DPP8KDM1A
SCHEMBL649724 0.83 DPP4 (0.42) DPP4DPP7CCR5DPP8KDM1A
SCHEMBL3336423 0.81 GPR119 (0.51) MAPK1
SCHEMBL1586797 0.72 GPR119 (0.54) MAPK1
SCHEMBL1586795 0.72 GPR119 (0.54) MAPK1
SCHEMBL929459 0.72 GPR119 (0.54) MAPK1
SCHEMBL17228502 0.72 GPR119 (0.48) MAPK1CHRM1
SCHEMBL7687290 0.71 CCR5 (0.42) CCR5MAPK1CHRM2CHRM4CHRM5

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-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 WO 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-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE DPP4 1204/4885DPP7 1136/4885CCR5 543/4885

“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.