SCHEMBL424905

SCHEMBL424905

CC1(C)COCN1C(=O)n1nnc2ccc(C(=O)Nc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
FAAH O00519 2/20 0.46
MGLL Q99685 2/20 0.46
NPC1 O15118 8/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 3/20 0.40
ACSS2 Q9NR19 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 1/20 0.38
MAOB P27338 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL428178 0.92 RAB9A (0.56) RAB9AKMT2AMEN1FAAHMGLL
SCHEMBL444875 0.86 HCAR3 (0.40) FAAHMGLLHPGD
SCHEMBL427401 0.84 MAPT (0.47) RAB9AKMT2AMEN1FAAHMGLL
SCHEMBL426089 0.83 NAMPT (0.38) KMT2AFAAHMGLLALDH1A1HPGD
SCHEMBL427873 0.82 FAAH (0.45) RAB9AFAAHMGLLNPC1ALDH1A1
SCHEMBL426102 0.81 FAAH (0.42) RAB9AKMT2AFAAHMGLLALDH1A1
SCHEMBL425936 0.80 KCNMA1 (0.39) RAB9AKMT2AFAAHMGLLALDH1A1
SCHEMBL425578 0.80 FAAH (0.47) KMT2AFAAHMGLLALDH1A1HPGD
SCHEMBL424832 0.79 HPGD (0.41) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL427885 0.79 ADORA3 (0.45) RAB9AKMT2AMEN1ALDH1A1HPGD

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 RAB9A 2266/4885KMT2A 2067/4885MEN1 2893/4885

“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.