SCHEMBL1143256

SCHEMBL1143256

c1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.60
▸ CXCR3 P49682 2/20 0.58
▸ USP2 O75604 1/20 0.54
▸ HSD11B1 P28845 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MC4R P32245 1/20 0.51
▸ DRD4 P21917 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CHRM2 P08172 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL24628147 0.85 SIGMAR1 (0.58) SIGMAR1CXCR3HSD11B1SMN1; SMN2MC4R
SCHEMBL25969216 0.84 HSD11B1 (0.56) CXCR3HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL12864588 0.79 CXCR3 (0.65) SIGMAR1CXCR3ALDH1A1DRD4CHRM2
SCHEMBL11152580 0.78 CXCR3 (0.64) SIGMAR1CXCR3HSD11B1MEN1ALDH1A1
SCHEMBL18171323 0.78 KDM4E (0.53) SIGMAR1CXCR3KMT2ASMN1; SMN2MC4R
SCHEMBL9129298 0.78 SIGMAR1 (0.75) SIGMAR1KMT2AMC4RDRD4LMNA
SCHEMBL576868 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RDRD4LMNA
SCHEMBL1041303 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RDRD4LMNA
SCHEMBL242970 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RDRD4LMNA
SCHEMBL1415730 0.78 SIGMAR1 (1.00) SIGMAR1KMT2AMC4RDRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257350-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION THE CLEVELAND CLINIC FOUNDATION 2023-08-17 — — US disclosed
US-7884097-B2 Contains 1-(2-Aminoethyl)piperidine and 2-adamantanone; mycobacterial infections SEQUELLA, INC. (US) 2011-02-08 — — US disclosed
EP-1670314-A4 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA INC (US) 2009-02-25 — — EP disclosed
EP-1670314-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS Sequella, Inc. (US) 2006-06-21 — — EP disclosed
US-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics SEQUELLA, INC. 2005-05-26 — — US disclosed
WO-2005034857-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA, INC. (US) 2005-04-21 — — 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 (2 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-20230257350-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION CHAT, DCX, GAP43 SIGMAR1 4523/4885CXCR3 1590/4885USP2 2579/4885
US-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics C5, DDC, SAT1 SIGMAR1 4157/4885CXCR3 1399/4885USP2 3030/4885

“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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