SCHEMBL9913802

SCHEMBL9913802

N[C@H]1C[C@H](Oc2cc(F)cc(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
EPHX2 P34913 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
KDM1A O60341 1/20 0.33
ROCK1 Q13464 2/20 0.31
IDO1 P14902 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
Hydrochloric Acid SCHEMBL9277742 0.98 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3EPHX2OPRM1
Hydrochloric Acid SCHEMBL9277740 0.98 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3EPHX2OPRM1
SCHEMBL21503662 0.82 FFAR4 (0.34) SLC6A2SLC6A4SLC6A3KDM1AROCK1
Hydrochloric Acid SCHEMBL21491663 0.80 FFAR4 (0.34) SLC6A2SLC6A4SLC6A3KDM1AROCK1
Hydrochloric Acid SCHEMBL21491660 0.80 FFAR4 (0.34) SLC6A2SLC6A4SLC6A3KDM1AROCK1
SCHEMBL23951609 0.79 KDM1A (0.42) SLC6A2SLC6A4SLC6A3EPHX2GRIN1
SCHEMBL26933091 0.79 FFAR4 (0.34) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL26933086 0.79 FFAR4 (0.34) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL3037790 0.78 EPHX2 (0.48) SLC6A2SLC6A4SLC6A3EPHX2OPRM1
Hydrochloric Acid SCHEMBL23924284 0.78 KDM1A (0.44) SLC6A2SLC6A4SLC6A3EPHX2GRIN1

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 3 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
WO-2012072512-A1 N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-07 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-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 SLC6A2 2286/4885SLC6A4 1408/4885SLC6A3 2001/4885

“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.