SCHEMBL426119

SCHEMBL426119

CC1(C)COCN1C(=O)n1nnc2cc(C(=O)NC3CCCCC3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
TP53 P04637 9/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 4/20 0.44
THRB P10828 2/20 0.43
MLLT1 Q03111 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL427873 0.93 FAAH (0.45) HPGDTP53FAAHMGLLALDH1A1
SCHEMBL424832 0.86 HPGD (0.41) HPGDALDH1A1NPC1MAPTPOLB
SCHEMBL424826 0.85 HCAR3 (0.49) HPGD
SCHEMBL426112 0.83 MAPT (0.55) HPGDTP53ALDH1A1NPC1MAPT
SCHEMBL428178 0.82 RAB9A (0.56) HPGDTP53FAAHMGLLALDH1A1
SCHEMBL427200 0.82 NAMPT (0.45) HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL427885 0.80 ADORA3 (0.45) HPGDTP53ALDH1A1MAPTTHRB
SCHEMBL427274 0.78 RAB9A (0.40) FAAHMGLLNPC1MAPTRAB9A
SCHEMBL427962 0.78 KCNMA1 (0.48) FAAHMGLLNPC1THRBRAB9A
SCHEMBL444875 0.77 HCAR3 (0.40) HPGDFAAHMGLL

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 2 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

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 HPGD 247/4885TP53 4604/4885FAAH 1/4885

“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.