SCHEMBL427274

SCHEMBL427274

CC1(C)COCN1C(=O)n1nnc2cc(C(=O)NOCc3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
NPC1 O15118 6/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.38
FAAH O00519 2/20 0.37
MGLL Q99685 2/20 0.37
HCAR3 P49019 1/20 0.37
MAPT P10636 2/20 0.36
AHR P35869 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL427885 0.87 ADORA3 (0.45) RAB9AMEN1KMT2AMAPT
SCHEMBL428178 0.84 RAB9A (0.56) RAB9ANPC1MEN1KMT2AFAAH
SCHEMBL424832 0.82 HPGD (0.41) RAB9ANPC1MEN1KMT2AHCAR3
SCHEMBL424826 0.81 HCAR3 (0.49) HCAR3
SCHEMBL427200 0.80 NAMPT (0.45) KMT2AHCAR3MAPT
SCHEMBL426112 0.80 MAPT (0.55) RAB9ANPC1MEN1KMT2ACHEK1
SCHEMBL428197 0.79 FAAH (0.54) NPC1MEN1KMT2AFAAHMGLL
SCHEMBL426119 0.78 HPGD (0.51) RAB9ANPC1FAAHMGLLMAPT
SCHEMBL424905 0.77 RAB9A (0.48) RAB9ANPC1MEN1KMT2AFAAH
SCHEMBL425578 0.76 FAAH (0.47) KMT2AFAAHMGLLMAPT

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 2266/4885NPC1 446/4885MEN1 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.