SCHEMBL30963864

SCHEMBL30963864

CCOc1cc(CN2CCNCC2)cc(-c2cncc(O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ SSTR5 P35346 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ INPPL1 O15357 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ RET P07949 1/20 0.34
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL30963858 0.86 ALDH1A1 (0.42) CHRM3ALDH1A1TGFBR1CYP11B1CYP11B2
SCHEMBL30963838 0.83 CHRM3 (0.55) CHRM3ALDH1A1FYN
SCHEMBL30963921 0.82 CHRM3 (0.41) CHRM3ALDH1A1TGFBR1CYP11B1CYP11B2
SCHEMBL30963897 0.80 CHRM3 (0.61) CHRM3CNR1CNR2FAAH
SCHEMBL26680525 0.78 CHEK1 (0.48) ALDH1A1SSTR5
SCHEMBL30963835 0.77 CYP3A4 (0.48) CHRM3CHRNB2CHRNA4CNR2
SCHEMBL26682264 0.76 PARP1 (0.40) ALDH1A1SSTR5FAAHRET
SCHEMBL26681572 0.76 ALDH1A1 (0.42) ALDH1A1CNR2
SCHEMBL30963927 0.74 ACVR1 (0.47) CHRM3TGFBR1CYP11B1CYP11B2CHRNB2
SCHEMBL26680977 0.74 CHRNA10 (0.41) CHRM3ALDH1A1

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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 — — 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF CHRM3 2515/4885ALDH1A1 446/4885TGFBR1 4846/4885

“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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