SCHEMBL424645

SCHEMBL424645

Cc1nc(-c2ccccc2)nn1C(=O)N(C)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
TRPA1 O75762 1/20 0.50
MGLL Q99685 1/20 0.50
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ACHE P22303 2/20 0.44
LIPE Q05469 2/20 0.44
BCHE P06276 1/20 0.44
ATM Q13315 1/20 0.44
PTAFR P25105 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.41
CES2 O00748 1/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 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
SCHEMBL425813 0.77 FAAH (0.49) TRPV1TRPA1MGLLRAB9ANPC1
SCHEMBL424644 0.77 TRPV1 (0.51) TRPV1TRPA1MGLLRAB9ANPC1
SCHEMBL426144 0.75 KDM4E (0.53) TRPV1TRPA1MGLLRAB9ANPC1
SCHEMBL3393288 0.74 NR1H2 (0.63) NR1H2NR1H3RAB9ANPC1ACHE
SCHEMBL425793 0.73 TRPV1 (0.47) TRPV1TRPA1MGLLRAB9ANPC1
SCHEMBL11272510 0.72 NR1H2 (0.76) NR1H2NR1H3RAB9ANPC1ACHE
SCHEMBL6863389 0.72 NPC1 (0.47) RAB9ANPC1ATMPTAFRHPGD
SCHEMBL424383 0.70 FAAH (0.74) TRPV1TRPA1MGLLRAB9ANPC1
SCHEMBL424651 0.70 TRPV1 (0.47) TRPV1TRPA1MGLLRAB9ANPC1
SCHEMBL8904890 0.69 ALDH1A1 (0.54) TRPV1TRPA1MGLLRAB9ANPC1

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 TRPV1 165/4885TRPA1 637/4885MGLL 11/4885

“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.