SCHEMBL2400179

SCHEMBL2400179

O=C1CC2(CCN(C(=O)c3cc4cc5c(cc4[nH]3)OCO5)CC2)c2cc(Br)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ GPR183 P32249 10/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ABCB1 P08183 1/20 0.35

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
SCHEMBL3254801 0.85 KMT2A (0.44) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL2398699 0.84 GPR183 (0.57) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL2399002 0.84 HRH4 (0.53) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL2401624 0.82 HRH4 (0.56) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL3252827 0.76 AVPR1A (0.52) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL3252765 0.72 HRH4 (0.58) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL3255524 0.72 HRH4 (0.58) HRH4HRH3GPR183KMT2ADRD3
SCHEMBL3252816 0.72 HRH4 (0.55) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL4983490 0.72 HRH4 (0.55) HRH4HRH3GPR183KMT2AMEN1
SCHEMBL2398151 0.71 HRH4 (0.56) HRH4HRH3GPR183KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022213-B2 6'-Bromo-1-[(5-methoxy-3-methyl-1H-indol-2-yl)carbonyl]-1'H-spiro[piperidine-4,4'-quinolin]-2'(3'H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-20 — — US disclosed
US-8022213-B2 6'-Bromo-1-[(5-methoxy-3-methyl-1H-indol-2-yl)carbonyl]-1'H-spiro[piperidine-4,4'-quinolin]-2'(3'H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-20 — — US disclosed
US-8022213-B2 6'-Bromo-1-[(5-methoxy-3-methyl-1H-indol-2-yl)carbonyl]-1'H-spiro[piperidine-4,4'-quinolin]-2'(3'H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-20 — — US disclosed
US-7432259-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 — — US disclosed
US-7432259-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 — — US disclosed
US-7432259-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 — — US disclosed
US-20080161298-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161298-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161298-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161299-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161299-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161299-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
WO-2008068159-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — 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 (2 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-20080161299-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 HRH4 211/4885HRH3 455/4885GPR183 408/4885
US-20080161298-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 HRH4 211/4885HRH3 455/4885GPR183 408/4885

“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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