SCHEMBL424617

SCHEMBL424617

CC(C)(C)N(Cc1ccccc1)C(=O)n1cnc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MCTS1 Q9ULC4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL448626 0.92 FAAH (0.53) FAAHMEN1KMT2AHTTL3MBTL1
SCHEMBL7899731 0.90 FAAH (0.46) FAAHMEN1KMT2AHTTL3MBTL1
SCHEMBL427826 0.83 FAAH (0.49) FAAHMEN1KMT2AHTTLMNA
SCHEMBL427524 0.82 HSD17B2 (0.46) FAAHKMT2AHTTLMNASLC16A3
SCHEMBL425400 0.76 FAAH (0.54) FAAHL3MBTL1LMNAALDH1A1
SCHEMBL426011 0.75 DRD2 (0.50) FAAH
SCHEMBL443278 0.73 FAAH (0.54) FAAHMEN1KMT2ALMNAALDH1A1
SCHEMBL425585 0.73 FAAH (0.57) FAAHMEN1KMT2ALMNANPC1
SCHEMBL11538029 0.72 CYP19A1 (0.42) MEN1KMT2AHTTRAB9AALDH1A1
SCHEMBL11287247 0.72 MAP4K4 (0.50) FAAHLMNANPC1RAB9AALDH1A1

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
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 1/4885MEN1 2893/4885KMT2A 2067/4885

“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.