SCHEMBL19852721

SCHEMBL19852721

COc1ccc(C=O)cc1N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.49
▸ CYP2C9 P11712 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ SCD O00767 1/20 0.43
▸ EED O75530 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL30511079 0.83 GAA (0.53) SMOCYP2C9HDAC1HDAC6NPC1
SCHEMBL17636193 0.83 GAA (0.53) SMOCYP2C9HDAC1HDAC6NPC1
SCHEMBL30691928 0.81 NPC1 (0.48) SMOCYP2C9HDAC1HDAC6NPC1
SCHEMBL32672556 0.80 SMO (0.44) SMOCYP2C9HDAC1HDAC6NPC1
SCHEMBL32672541 0.80 SLC6A9 (0.44) SMOCYP2C9HDAC1HDAC6HCRTR1
SCHEMBL29436267 0.80 MAPT (0.49) SMONPC1MAPTALDH1A1MEN1
SCHEMBL32672593 0.80 SMO (0.47) SMOCYP2C9HDAC1HDAC6NPC1
SCHEMBL12643221 0.80 MAPT (0.49) SMONPC1MAPTALDH1A1MEN1
SCHEMBL32672552 0.79 SMO (0.47) SMOCYP2C9HDAC1HDAC6NPC1
SCHEMBL14668242 0.77 CYP2C9 (0.48) CYP2C9HDAC1HDAC6NPC1RAB9A

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-20210244728-A1 Method of treating peripheral neuropathy CHEMEDEST LTD (EE) 2021-08-12 — — US disclosed
US-20200113895-A1 Method of treating peripheral neuropathy CHEMEDEST LTD. (EE) 2020-04-16 — — US disclosed
US-20180036305-A1 Method of treating peripheral neuropathy CHEMEDEST LTD. (EE) 2018-02-08 — — 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 (3 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-20210244728-A1 Method of treating peripheral neuropathy GFRA3, GFRA2, GFRA1 SMO 3514/4885CYP2C9 3497/4885HDAC1 4532/4885
US-20180036305-A1 Method of treating peripheral neuropathy GFRA3, GFRA2, GAP43 SMO 3421/4885CYP2C9 4189/4885HDAC1 4230/4885
US-20200113895-A1 Method of treating peripheral neuropathy GFRA3, GFRA1, GFRA2 SMO 3540/4885CYP2C9 3683/4885HDAC1 4451/4885

“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.

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