SCHEMBL26537607

SCHEMBL26537607

CC(C)(CN1CCNCC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
CXCR4 P61073 2/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
Hydrochloric Acid SCHEMBL30341043 0.98 SIGMAR1 (0.35) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL14584234 0.84 SIGMAR1 (0.39) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL27141666 0.82 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL92632 0.82 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL29165085 0.80 SIGMAR1 (0.37) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL27142082 0.79 USP2 (0.41) ALDH1A1HTTSMN1; SMN2CHRM3
SCHEMBL16211550 0.78 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL16935402 0.77 POLB (0.35) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL2102695 0.77 POLB (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL5652 0.77 POLB (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
CN-104364246-B Piperidine derivatives useful as GPR119 agonists 株式会社钟根堂 2018-05-22 CN 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ SIGMAR1 2433/4885ALDH1A1 1243/4885HTT 2340/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B SIGMAR1 457/4885ALDH1A1 368/4885HTT 3117/4885

“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.