SCHEMBL427200

SCHEMBL427200

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
HCAR3 P49019 6/20 0.37
KCNMA1 Q12791 1/20 0.37
KMT2A Q03164 3/20 0.36
F12 P00748 1/20 0.36
MGAM O43451 2/20 0.36
AMY1A P0DUB6 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
HPGD P15428 4/20 0.35
HCAR2 Q8TDS4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL426089 0.91 NAMPT (0.38) NAMPTKMT2AF12MGAMAMY1A
SCHEMBL424826 0.90 HCAR3 (0.49) HCAR3HPGDHCAR2RXRAPPARG
SCHEMBL427772 0.89 KCNMA1 (0.41) NAMPTKCNMA1KMT2AMGAMAMY1A
SCHEMBL424832 0.87 HPGD (0.41) HCAR3KMT2AHPGDKDM4EALDH1A1
SCHEMBL426112 0.84 MAPT (0.55) HCAR3KCNMA1KMT2AHPGDJAK3
SCHEMBL427962 0.84 KCNMA1 (0.48) KCNMA1KMT2AF12MGAMAMY1A
SCHEMBL425578 0.83 FAAH (0.47) KCNMA1KMT2AF12MGAMAMY1A
SCHEMBL428178 0.83 RAB9A (0.56) KMT2AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL425750 0.83 TRPV1 (0.38) KMT2AMGAMAMY1AGAASI
SCHEMBL7906239 0.82 KCNMA1 (0.37) KCNMA1GAAHPGDSMN1; SMN2KDM4E

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 6 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-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
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 NAMPT 372/4885HCAR3 81/4885KCNMA1 3175/4885

“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.