SCHEMBL26933596

SCHEMBL26933596

N[C@H]1C[C@H](OCc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
KIF11 P52732 4/20 0.40
IDO1 P14902 2/20 0.37
DAO P14920 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
FFAR1 O14842 1/20 0.36
SLC6A4 P31645 2/20 0.36
DRD4 P21917 2/20 0.35
MGLL Q99685 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
NAAA Q02083 1/20 0.34
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL26933602 1.00 KDM1A (0.47) KDM1AKIF11IDO1DAOCYP11B1
SCHEMBL30636293 1.00 KDM1A (0.47) KDM1AKIF11IDO1DAOCYP11B1
Hydrochloric Acid SCHEMBL30636281 0.99 KDM1A (0.46) KDM1AKIF11IDO1DAOCYP11B1
SCHEMBL26933298 0.83 GRM2 (0.44) SLC6A4DRD4SLC6A2SLC6A3KCNH2
SCHEMBL26933291 0.83 GRM2 (0.44) SLC6A4DRD4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL30636343 0.82 GRM2 (0.43) SLC6A4DRD4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL21491497 0.82 GRM2 (0.43) SLC6A4DRD4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL21491496 0.82 GRM2 (0.43) SLC6A4DRD4SLC6A2SLC6A3KCNH2
SCHEMBL3122265 0.79 KIF11 (0.39) KDM1AKIF11DAOSLC6A4DRD4
SCHEMBL26933269 0.78 EPHX2 (0.42) KIF11FFAR1DRD4MGLLGRM2

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
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-12-19 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-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 KDM1A 4513/4885KIF11 4205/4885IDO1 584/4885

“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.