SCHEMBL13801056

SCHEMBL13801056

COc1ccc(C2CC(O)CN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTR2C P28335 1/20 0.39
▸ GID4 Q8IVV7 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1071708 0.83 MAOA (0.50) KDM1AMAOAMAOBALDH1A1HTR2C
SCHEMBL13452484 0.81 KDM1A (0.46) KDM1AMAOAMAOBALDH1A1HTR2C
SCHEMBL3163003 0.80 KDM1A (0.42) KDM1AMAOAMAOBALDH1A1HTR2C
SCHEMBL8565971 0.77 SCN10A (0.38) ALDH1A1L3MBTL1
SCHEMBL4685465 0.77 CDC7 (0.40) KDM1AMAOBALDH1A1HTR2C
SCHEMBL27603362 0.77 SCN10A (0.35) ALDH1A1CA14
SCHEMBL6142909 0.76 GBA1 (0.46) KDM1AMAOAMAOBHTR2C
SCHEMBL5739415 0.76 GBA1 (0.46) KDM1AMAOAMAOBHTR2C
SCHEMBL8046766 0.72 ALDH5A1 (0.36) ALDH1A1
SCHEMBL1665524 0.72 TSHR (0.41) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 — — US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 — — US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — 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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KDM1A 2129/4885MAOA 2891/4885MAOB 2563/4885

“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.

Send feedback