SCHEMBL425937

SCHEMBL425937

CC1(C)COCN1C(=O)n1nnc2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.51
PKM P14618 3/20 0.45
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
GALK1 P51570 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CNR2 P34972 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL7898107 0.93 KCNMA1 (0.43) KCNMA1PKMLMNAALDH1A1USP2
SCHEMBL427962 0.83 KCNMA1 (0.48) KCNMA1CNR2
SCHEMBL424826 0.82 HCAR3 (0.49) HPGD
SCHEMBL427200 0.81 NAMPT (0.45) KCNMA1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7906239 0.81 KCNMA1 (0.37) KCNMA1ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL425578 0.80 FAAH (0.47) KCNMA1ALDH1A1HTTMAPTNPSR1
SCHEMBL424832 0.80 HPGD (0.41) ALDH1A1MAPTHPGDMAPK1
SCHEMBL426009 0.79 GAA (0.46) KCNMA1LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL426112 0.79 MAPT (0.55) KCNMA1ALDH1A1MAPTHPGDMAPK1
SCHEMBL425936 0.78 KCNMA1 (0.39) KCNMA1ALDH1A1SMN1; SMN2MAPTNPSR1

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KCNMA1 3175/4885PKM 1840/4885LMNA 2523/4885

“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.