SCHEMBL427480

SCHEMBL427480

C[C@@H]1CCC[C@H](C)N1C(=O)n1cnc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
CES2 O00748 1/20 0.46
ALDH1A1 P00352 7/20 0.45
HPGD P15428 4/20 0.45
GLA P06280 1/20 0.45
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 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
SCHEMBL427555 0.76 FAAH (0.46) FAAHCES2ALDH1A1HPGDNPSR1
SCHEMBL424383 0.75 FAAH (0.74) FAAHCES2ALDH1A1HPGDKMT2A
SCHEMBL424570 0.74 FAAH (0.44) FAAHCES2ALDH1A1HPGDGLA
SCHEMBL10645106 0.74 FAAH (0.56) FAAHCES2ALDH1A1HPGDKMT2A
SCHEMBL427562 0.73 FAAH (0.56) FAAHCES2ALDH1A1KMT2AMEN1
SCHEMBL17460180 0.73 SLC6A7 (0.47) FAAHKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL17460215 0.73 FAAH (0.47) FAAHKMT2ANPC1RAB9A
SCHEMBL15553540 0.73 KDM4E (0.48) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL428124 0.73 USP19 (0.48) FAAHCES2HCRTR1USP19
SCHEMBL2181000 0.71 FAAH (0.64) FAAHCES2KMT2ASMN1; SMN2MEN1

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 1/4885CES2 62/4885ALDH1A1 294/4885

“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.