SCHEMBL29382249

SCHEMBL29382249

O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cn(C2CC2)nn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CCR2 P41597 8/20 0.43
SCD O00767 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL70091 1.00 EPHX2 (0.47) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL83327 0.94 HDAC3 (0.44) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL29385064 0.94 HDAC3 (0.44) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL69468 0.94 HDAC3 (0.44) EPHX2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL70177 0.94 HDAC3 (0.43) EPHX2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL29382301 0.94 HDAC3 (0.43) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL29382275 0.92 EPHX2 (0.43) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL70018 0.92 EPHX2 (0.43) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL70485 0.92 GPR119 (0.47) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL71519 0.91 EPHX2 (0.43) EPHX2HDAC3HDAC1HDAC2HDAC8

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
US-12433880-B2 Methods for the treatment of neurological disorders JANSSEN PHARMACEUTICA NV (BE) 2025-10-07 US disclosed
EP-3566055-B1 SCD INHIBITOR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2025-03-12 EP disclosed
US-20220040167-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2022-02-10 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 (2 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-12433880-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC EPHX2 1185/4885HDAC3 913/4885HDAC1 1842/4885
US-20220040167-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC EPHX2 1185/4885HDAC3 913/4885HDAC1 1842/4885

“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.