SCHEMBL20970530

SCHEMBL20970530

CCN1CCN(CC2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EBP Q15125 7/20 0.41
GBA1 P04062 2/20 0.41
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
KCNH2 Q12809 3/20 0.40
ACHE P22303 1/20 0.39
CNR2 P34972 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TACR2 P21452 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL18873650 0.88 NAMPT (0.38) EBPCHRM5ADRA2CKCNH2ACHE
SCHEMBL15221483 0.86 THRB (0.43) CHRM5ADRA2CACHEALDH1A1THRB
SCHEMBL3477990 0.84 CHRM5 (0.48) CHRM5ADRA2CACHEKDM4EALDH1A1
SCHEMBL17286004 0.83 GBA1 (0.41) EBPGBA1CHRM5ADRA2CKCNH2
SCHEMBL22520700 0.82 ACHE (0.50) CHRM5ADRA2CACHEKDM4EALDH1A1
SCHEMBL26480974 0.82 ACHE (0.50) CHRM5ADRA2CACHEKDM4EALDH1A1
SCHEMBL12188158 0.82 ACHE (0.42) EBPGBA1CHRM5ADRA2CKCNH2
SCHEMBL27423846 0.80 CHRM5 (0.56) CHRM5ADRA2CACHEKDM4EALDH1A1
SCHEMBL12950312 0.80 CHRM5 (0.62) CHRM5ADRA2CACHEKDM4EALDH1A1
SCHEMBL18682635 0.80 CHRM5 (0.62) EBPGBA1CHRM5ADRA2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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 (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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF EBP 2422/4885GBA1 3508/4885CHRM5 3220/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB EBP 2805/4885GBA1 1662/4885CHRM5 44/4885

“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.