SCHEMBL424466

SCHEMBL424466

O=C(N1CCN(Cc2ccccc2)CC1)n1cnc(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
HRH3 Q9Y5N1 3/20 0.53
TP53 P04637 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL424464 0.89 ALDH1A1 (0.51) FAAHSMN1; SMN2MAPK1KDM4EMEN1
SCHEMBL427358 0.80 DGAT1 (0.50) ALDH1A1LMNA
SCHEMBL17276493 0.79 FAAH (0.60) FAAHHRH3TP53NPC1SMN1; SMN2
SCHEMBL13149757 0.79 HRH3 (0.74) FAAHHRH3TP53NPC1SMN1; SMN2
SCHEMBL424475 0.77 SMN1; SMN2 (0.53) FAAHSMN1; SMN2MAPK1KDM4EMEN1
SCHEMBL17276495 0.76 FAAH (0.57) FAAHHRH3TP53NPC1SMN1; SMN2
SCHEMBL5060092 0.75 ALDH1A1 (0.67) FAAHHRH3TP53NPC1SMN1; SMN2
SCHEMBL17276590 0.75 FAAH (0.55) FAAHHRH3
SCHEMBL3042737 0.75 NR4A2 (0.72) FAAHHRH3TP53NPC1SMN1; SMN2
SCHEMBL1143656 0.74 NPC1 (0.85) FAAHHRH3TP53NPC1SMN1; SMN2

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-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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 1/4885HRH3 95/4885TP53 4604/4885

“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.