SCHEMBL425972

SCHEMBL425972

CC1(C)COCN1C(=O)n1nnc2ncc(-c3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GRIN2B Q13224 13/20 0.36
KCNMA1 Q12791 1/20 0.34
MGLL Q99685 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL425830 0.83 KCNMA1 (0.36) KDM4EALDH1A1GAACYP1A2HPGD
SCHEMBL424689 0.83 KCNMA1 (0.42) KDM4EALDH1A1GAACYP1A2HPGD
SCHEMBL424700 0.80 MGLL (0.47) KDM4EALDH1A1GAACYP1A2HPGD
SCHEMBL425578 0.76 FAAH (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL424826 0.74 HCAR3 (0.49) HPGD
SCHEMBL427962 0.73 KCNMA1 (0.48) KDM4EGAAGLAKCNMA1MGLL
SCHEMBL425936 0.72 KCNMA1 (0.39) KDM4EALDH1A1GAACYP1A2HPGD
SCHEMBL428178 0.72 RAB9A (0.56) KDM4EALDH1A1HPGDSMN1; SMN2MGLL
SCHEMBL425750 0.72 TRPV1 (0.38) GAAHPGDMGLLKMT2A
SCHEMBL427772 0.72 KCNMA1 (0.41) GAAHPGDKCNMA1MGLLKMT2A

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 3 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 KDM4E 1982/4885ALDH1A1 294/4885GAA 184/4885

“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.