SCHEMBL427759

SCHEMBL427759

CN(C(=O)n1cnc(-c2ccc(OCCN3CCNCC3)cc2)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
FAAH O00519 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL424550 0.92 KDM4E (0.50) LTA4HALDH1A1KDM4EFAAH
SCHEMBL424569 0.90 LTA4H (0.51) LTA4HKDM4E
SCHEMBL424571 0.90 NPC1 (0.55) LTA4HALDH1A1SMN1; SMN2KDM4EPRKAB2
SCHEMBL424186 0.81 FAAH (0.52) LTA4HALDH1A1MAPTKDM4ETDP1
Hydrochloric Acid SCHEMBL446668 0.81 FAAH (0.51) LTA4HALDH1A1MAPTKDM4ETDP1
SCHEMBL426694 0.78 ACHE (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL427476 0.77 FAAH (0.57) KMT2ASMN1; SMN2KDM4EFAAHRAB9A
SCHEMBL425371 0.77 FAAH (0.60) KMT2ASMN1; SMN2KDM4EFAAHNPC1
SCHEMBL425987 0.75 FAAH (0.53) LTA4HALDH1A1KDM4EFAAH
SCHEMBL427193 0.75 KDM4E (0.43) LTA4HALDH1A1MAPTSMN1; SMN2KDM4E

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 LTA4H 7/4885ALDH1A1 294/4885MAPT 1705/4885

“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.