SCHEMBL424468

SCHEMBL424468

Cc1ccc(OC2CCN(C(=O)n3cnc(-c4ccc(N5CCN(C)CC5)cc4)n3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HRH1 P35367 1/20 0.38
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
EPHX2 P34913 1/20 0.38
AKR1C3 P42330 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
AR P10275 1/20 0.38
CHEK2 O96017 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL425711 0.79 AKR1C3 (0.49) NPC1MAPTAKR1C3
SCHEMBL7903565 0.78 AKR1C3 (0.48) MAPTMEN1KMT2AAKR1C3
SCHEMBL425555 0.75 FAAH (0.43) MEN1KMT2AHRH1FPR2PROKR1
SCHEMBL427033 0.73 MAPK1 (0.60) RAB9AMAPTMEN1KMT2AAKR1C3
SCHEMBL23564134 0.69 MAPT (0.47) MAPTMEN1KMT2AHRH3FPR2
SCHEMBL425498 0.69 FAAH (0.58) MAPTMEN1KMT2AAKR1C3
SCHEMBL16713001 0.68 HRH3 (0.59) HRH3FPR2PROKR1EPHX2CHEK2
SCHEMBL14372238 0.68 AKR1C3 (0.73) NPC1RAB9AMAPTAKR1C3
SCHEMBL426884 0.68 PARP10 (0.56) NPC1MAPTMEN1KMT2AAKR1C3
SCHEMBL425575 0.68 BCHE (0.56) NPC1RAB9AMAPTMEN1KMT2A

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 MAP4K1 3449/4885NPC1 446/4885RAB9A 2266/4885

“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.