SCHEMBL427980

SCHEMBL427980

Cc1cc2nnn(C(=O)N(C)C3CCCCC3)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.47
AMY1A P0DUB6 3/20 0.47
GAA P10253 3/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
TRPV1 Q8NER1 2/20 0.44
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 2/20 0.41
TRPA1 O75762 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
LIPE Q05469 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL425717 0.82 TRPV1 (0.45) GAATRPV1ALDH1A1SMN1; SMN2USP2
SCHEMBL425471 0.81 TRPV1 (0.44) MGAMAMY1AGAASIMGAM2
SCHEMBL7899251 0.81 TRPV1 (0.43) GAATRPV1ALDH1A1SMN1; SMN2USP2
SCHEMBL424342 0.81 TRPV1 (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL427875 0.80 HCAR3 (0.46) TRPV1ALDH1A1SMN1; SMN2USP2POLB
SCHEMBL427978 0.80 KCNMA1 (0.50) GAATRPV1ALDH1A1SMN1; SMN2USP2
SCHEMBL424622 0.79 KMT2A (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL427404 0.78 HCAR3 (0.44) TRPV1ALDH1A1SMN1; SMN2USP2POLB
SCHEMBL424386 0.78 TRPV1 (0.48) MGAMAMY1AGAASIMGAM2
SCHEMBL427316 0.78 TRPV1 (0.48) MGAMAMY1AGAASIMGAM2

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 5 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

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 MGAM 1034/4885AMY1A 955/4885GAA 184/4885

“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.