SCHEMBL3836551

SCHEMBL3836551

O=C(c1cccc(Cl)c1)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.66
▸ GRM4 Q14833 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSD17B14 Q9BPX1 1/20 0.59
▸ CES1 P23141 2/20 0.58
▸ GRM5 P41594 3/20 0.55
▸ KDR P35968 1/20 0.55
▸ KCNK3 O14649 1/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.51
▸ TLR7 Q9NYK1 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ PARP1 P09874 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
SCHEMBL7536679 0.91 KMT2A (0.58) KMT2AGRM4HDAC6NPC1PKM
SCHEMBL23572370 0.81 KMT2A (0.73) KMT2ANPC1PKMRAB9AHSD17B14
SCHEMBL29485024 0.81 KMT2A (0.72) KMT2ANPC1PKMRAB9ASMN1; SMN2
SCHEMBL3830943 0.81 KMT2A (0.72) KMT2ANPC1PKMRAB9ASMN1; SMN2
SCHEMBL27559411 0.81 MEN1 (0.65) KMT2ANPC1PKMNFKB1RAB9A
SCHEMBL12441772 0.80 KMT2A (0.66) KMT2ANPC1PKMNFKB1RAB9A
SCHEMBL7401799 0.80 NPC1 (0.53) KMT2AGRM4HDAC6NPC1PKM
SCHEMBL30659509 0.80 KMT2A (0.66) KMT2ANPC1PKMRAB9AHSD17B14
SCHEMBL22172012 0.80 KMT2A (0.71) KMT2ANPC1PKMRAB9ASMN1; SMN2
SCHEMBL8586217 0.80 KMT2A (0.66) KMT2AHDAC6NPC1PKMRAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018080065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-05-03 — — WO disclosed
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 — — EP disclosed
EP-2104677-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-30 — — EP disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 — — US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 — — US disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 — — WO disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 — — US disclosed
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE, INC. 2008-07-17 — — US disclosed
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 — — 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 (3 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-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 KMT2A 1480/4885GRM4 38/4885HDAC6 1934/4885
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder AVPR1A, AVPR2, AVPR1B KMT2A 2040/4885GRM4 634/4885HDAC6 2161/4885
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 KMT2A 1480/4885GRM4 38/4885HDAC6 1934/4885

“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.

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