SCHEMBL30691928

SCHEMBL30691928

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMO Q99835 2/20 0.45
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SCD O00767 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 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
SCHEMBL32672541 0.82 SLC6A9 (0.44) SMOHCRTR1HCRTR2CYP2C9HDAC1
SCHEMBL19852721 0.81 SMO (0.49) NPC1RAB9ASMOHCRTR1HCRTR2
SCHEMBL19852652 0.79 SMO (0.45) NPC1RAB9ASMOHCRTR1HCRTR2
SCHEMBL32672556 0.79 SMO (0.44) NPC1RAB9ASMOCYP2C9HDAC1
SCHEMBL30511079 0.79 GAA (0.53) NPC1RAB9ASMOCYP2C9HDAC1
SCHEMBL17636193 0.79 GAA (0.53) NPC1RAB9ASMOCYP2C9HDAC1
SCHEMBL19852677 0.78 NPC1 (0.45) NPC1RAB9ASMOHCRTR1HCRTR2
SCHEMBL12643221 0.77 MAPT (0.49) NPC1SMOTP53MAPTALDH1A1
SCHEMBL29436267 0.77 MAPT (0.49) NPC1SMOTP53MAPTALDH1A1
SCHEMBL32672593 0.76 SMO (0.47) NPC1SMOCYP2C9HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042770-A1 NOVEL SULFONES AND THEIR USE AS NEUROPROTECTIVE AND/OR NEURORESTORATIVE AGENTS GENECODE (EE) 2026-02-12 — — US disclosed
EP-4561996-A1 [4-[5-(METHYLSULFONYL)-PHENYL]PIPERAZIN-1-YL]-(PHENYL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS WITH GFR ALPHA 1-RET ACTIVITY AS NEUROPROTECTIVE AGENTS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Genecode (EE) 2025-06-04 — — EP disclosed
CN-119894875-A [4- [5- (Methylsulfonyl) -phenyl ] piperazin-1-yl ] - (phenyl) methanone derivatives and similar compounds having gfrα1-RET activity as neuroprotective agents for the treatment of neurological disorders 基因密码公司 2025-04-25 — — CN disclosed
WO-2024023287-A1 [4-[5-(METHYLSULFONYL)-PHENYL]PIPERAZIN-1-YL]-(PHENYL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS WITH GFR ALPHA 1-RET ACTIVITY AS NEUROPROTECTIVE AGENTS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GENECODE (EE) 2024-02-01 — — 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-20260042770-A1 NOVEL SULFONES AND THEIR USE AS NEUROPROTECTIVE AND/OR NEURORESTORATIVE AGENTS BDNF, CNR1, GFRA1 NPC1 155/4885RAB9A 1154/4885SMO 2590/4885

“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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