SCHEMBL427873

SCHEMBL427873

CC1(C)COCN1C(=O)n1nnc2ccc(C(=O)NC3CCCCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
HPGD P15428 4/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 8/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MLLT1 Q03111 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL426119 0.93 HPGD (0.51) FAAHMGLLHPGDNPC1RAB9A
SCHEMBL444875 0.85 HCAR3 (0.40) FAAHMGLLHPGD
SCHEMBL424905 0.82 RAB9A (0.48) FAAHMGLLHPGDNPC1RAB9A
SCHEMBL426089 0.82 NAMPT (0.38) FAAHMGLLHPGDSMN1; SMN2CYP1A2
SCHEMBL426102 0.80 FAAH (0.42) FAAHMGLLHPGDRAB9ASMN1; SMN2
SCHEMBL425936 0.79 KCNMA1 (0.39) FAAHMGLLHPGDRAB9ASMN1; SMN2
SCHEMBL424832 0.78 HPGD (0.41) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL427865 0.78 PDE2A (0.39) HPGDNPC1RAB9ATP53LMNA
SCHEMBL424826 0.77 HCAR3 (0.49) HPGD
SCHEMBL425919 0.76 HDAC3 (0.43) FAAHMGLLSMN1; SMN2TP53LMNA

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 FAAH 1/4885MGLL 11/4885HPGD 247/4885

“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.