SCHEMBL24775508

SCHEMBL24775508

CC(C)(C)N1CCCC1c1cc(OCCN2CCOCC2)ccc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.49
▸ HRH3 Q9Y5N1 11/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL24775504 0.83 HRH3 (0.40) SLC6A4HRH3
SCHEMBL4104900 0.76 JAK2 (0.50) SLC6A4HRH3NPC1KDM4EALDH1A1
SCHEMBL24774474 0.71 SIGMAR1 (0.37) KDM4EKMT2A
SCHEMBL5327778 0.70 KDM4E (0.53) SLC6A4HRH3NPC1KDM4EALDH1A1
SCHEMBL24775499 0.70 OPRM1 (0.42) —
SCHEMBL24774530 0.70 ACHE (0.36) —
SCHEMBL24774477 0.70 OPRM1 (0.42) —
SCHEMBL24774489 0.70 TMEM97 (0.43) —
SCHEMBL5344927 0.69 KDM4E (0.52) SLC6A4HRH3NPC1KDM4EALDH1A1
SCHEMBL5070782 0.69 PSEN1 (0.55) HRH3NPC1KDM4EALDH1A1MEN1

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-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 — — 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 SLC6A4 4836/4885HRH3 4417/4885NPC1 2057/4885

“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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