SCHEMBL19852677

SCHEMBL19852677

CCN(CC)Sc1ccc(OC)c(N2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ SCD O00767 1/20 0.41
▸ SMO Q99835 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL23747832 0.86 HCRTR1 (0.41) NPC1RAB9AHCRTR1HCRTR2SCD
SCHEMBL14668242 0.83 CYP2C9 (0.48) NPC1RAB9ACYP2C9HDAC1HDAC6
SCHEMBL12643198 0.82 KMT2A (0.49) NPC1CYP2C9HDAC1HDAC6MAPT
SCHEMBL14668246 0.79 KDM4E (0.47) CYP2C9HDAC1HDAC6LMNAHTT
SCHEMBL19852676 0.78 NPC1 (0.45) NPC1RAB9ACYP2C9HDAC1HDAC6
SCHEMBL30691928 0.78 NPC1 (0.48) NPC1RAB9ACYP2C9HDAC1HDAC6
SCHEMBL12643339 0.76 HTR6 (0.48) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL12643221 0.75 MAPT (0.49) NPC1SMOMAPTALDH1A1HPGD
SCHEMBL29436267 0.75 MAPT (0.49) NPC1SMOMAPTALDH1A1HPGD
SCHEMBL14668243 0.73 MAPT (0.61) MAPTHTTALDH1A1NPSR1HPGD

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 NPC1 1166/4885RAB9A 2798/4885CYP2C9 3497/4885
US-20180036305-A1 Method of treating peripheral neuropathy GFRA3, GFRA2, GAP43 NPC1 1178/4885RAB9A 2424/4885CYP2C9 4189/4885
US-20200113895-A1 Method of treating peripheral neuropathy GFRA3, GFRA1, GFRA2 NPC1 1022/4885RAB9A 2528/4885CYP2C9 3683/4885

“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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