SCHEMBL23259489

SCHEMBL23259489

COc1ccccc1CCC(C)I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
SIGMAR1 Q99720 1/20 0.50
AOC3 Q16853 1/20 0.50
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
IDO1 P14902 2/20 0.47
ABCB1 P08183 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL31147801 0.85 TAAR1 (0.60) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL7636733 0.85 TAAR1 (0.60) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL267933 0.81 TAAR1 (0.61) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL30520870 0.81 TAAR1 (0.61) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL7535470 0.81 TAAR1 (0.56) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL28858018 0.80 TAAR1 (0.75) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL14143961 0.79 TAAR1 (0.53) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL19398947 0.78 TAAR1 (0.56) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL9416891 0.76 TAAR1 (0.55) TAAR1SIGMAR1AOC3KCNH2HRH3
SCHEMBL8490782 0.76 TAAR1 (0.64) TAAR1SIGMAR1AOC3KCNH2HRH3

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-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 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 (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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TAAR1 4603/4885SIGMAR1 4820/4885AOC3 1967/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TAAR1 3983/4885SIGMAR1 3067/4885AOC3 2096/4885

“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.