SCHEMBL24092111

SCHEMBL24092111

CC(NC(C)(C)C)c1ccc(C2CCN(C(C)(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ACACB O00763 12/20 0.34
▸ PRCP P42785 3/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL30450613 0.74 BRD4 (0.42) HTTRAB9AALDH1A1
SCHEMBL20711430 0.74 RAB9A (0.44) HTTRAB9ATACR1ALDH1A1
SCHEMBL29736498 0.74 DRD2 (0.50) RAB9A
SCHEMBL2019396 0.74 SLC18A3 (0.43) HTTRAB9AALDH1A1
SCHEMBL27394358 0.74 DRD2 (0.50) RAB9A
SCHEMBL13676333 0.74 DRD2 (0.46) RAB9AALDH1A1
SCHEMBL17516295 0.72 SLC18A3 (0.48) HTTRAB9AALDH1A1
SCHEMBL17886516 0.71 TP53 (0.46) HTTRAB9A
SCHEMBL18591774 0.70 PRCP (0.42) PRCP
SCHEMBL13698256 0.68 SLC6A2 (0.56) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-12-14 — — 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 (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-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity ERG28, BAK1, MCL1 HTT 2895/4885RAB9A 219/4885ACACB 668/4885

“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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