SCHEMBL30279264

SCHEMBL30279264

Cc1nc(N2CCC(C(F)(F)F)CC2)ccc1NCC1CCC(N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.40
▸ KHK P50053 2/20 0.39
▸ HRH4 Q9H3N8 4/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ CCNT1 O60563 1/20 0.34

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
SCHEMBL25039467 1.00 TRPV3 (0.40) TRPV3KHKHRH4MAP4K4KDM4E
SCHEMBL25039643 0.89 TRPV3 (0.41) TRPV3HRH4MAP4K4KDM4EMAPT
SCHEMBL30279005 0.88 TRPV3 (0.41) TRPV3KHKHRH4MAP4K4KDM4E
SCHEMBL25039287 0.88 TRPV3 (0.41) TRPV3KHKHRH4MAP4K4KDM4E
SCHEMBL25039426 0.83 CHRM3 (0.43) TRPV3HRH4MAP4K4KDM4EMAPT
SCHEMBL30279179 0.82 KHK (0.38) KHKHRH4HRH3HTR3EMEN1
SCHEMBL25039350 0.82 KHK (0.38) KHKHRH4HRH3HTR3EMEN1
SCHEMBL30279002 0.82 KHK (0.34) KHKHRH4HRH3CCNT1CDK4
SCHEMBL25039812 0.82 KHK (0.34) KHKHRH4HRH3CCNT1CDK4
SCHEMBL25040001 0.80 KHK (0.33) KHKHRH4KMT2APAK4PAK1

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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 — — EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 TRPV3 3266/4885KHK 2616/4885HRH4 3558/4885

“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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