SCHEMBL25253670

SCHEMBL25253670

O=C(O)N1CC2(CCC(Cc3ccc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.41
▸ LIPE Q05469 2/20 0.41
▸ HCRTR1 O43613 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KCNH2 Q12809 1/20 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
SCHEMBL31549778 0.86 CNR2 (0.37) FFAR4LIPEHCRTR1SYKEPHX2
SCHEMBL29497112 0.85 EIF2AK4 (0.42) FFAR4LIPEEPHX2MAPTSMN1; SMN2
SCHEMBL25302142 0.85 EIF2AK4 (0.42) FFAR4LIPEEPHX2MAPTSMN1; SMN2
SCHEMBL22462857 0.84 LIPE (0.51) LIPEHCRTR1EPHX2LMNAKDM4E
SCHEMBL25295889 0.83 FFAR4 (0.35) FFAR4HCRTR1CHRM2
SCHEMBL25145892 0.82 MGLL (0.43) FFAR4LIPEHCRTR1EPHX2LMNA
SCHEMBL31549792 0.82 HCRTR1 (0.34) FFAR4LIPEHCRTR1SYKEPHX2
SCHEMBL30700517 0.82 KDM4E (0.47) FFAR4LIPESYKEPHX2LMNA
SCHEMBL30409370 0.82 MGLL (0.43) FFAR4LIPEHCRTR1EPHX2LMNA
SCHEMBL25324506 0.81 MGLL (0.40) FFAR4LIPEHCRTR1SYKEPHX2

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY FFAR4 4405/4885LIPE 2733/4885HCRTR1 358/4885

“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.

Send feedback