SCHEMBL3247224

SCHEMBL3247224

COc1ccc2cc(C(=O)N3CCC4(CC3)C(=O)Nc3ccc(Br)cc34)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ HRH4 Q9H3N8 3/20 0.57
▸ DRD2 P14416 4/20 0.55
▸ DRD3 P35462 4/20 0.55
▸ MEN1 O00255 3/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.49
▸ GPR183 P32249 3/20 0.47

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
SCHEMBL3255524 0.91 HRH4 (0.58) KMT2ANPC1RAB9AHRH4DRD3
SCHEMBL3855664 0.88 NPC1 (0.60) KMT2ANPC1RAB9AHRH4DRD2
SCHEMBL3252765 0.85 HRH4 (0.58) KMT2ANPC1HRH4DRD3MEN1
SCHEMBL3254801 0.81 KMT2A (0.44) KMT2AHRH4DRD2DRD3MEN1
SCHEMBL3247041 0.80 GPR183 (0.59) KMT2AHRH4MEN1GPR183
SCHEMBL3257840 0.80 KMT2A (0.60) KMT2ANPC1RAB9ADRD2DRD3
SCHEMBL3255853 0.80 IP6K1 (0.43) HRH4GPR183
SCHEMBL2401624 0.79 HRH4 (0.56) KMT2ANPC1RAB9AHRH4DRD2
SCHEMBL3252852 0.78 HRH4 (0.55) HRH4DRD2DRD3
SCHEMBL3256593 0.76 HRH4 (0.54) HRH4DRD2DRD3GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202993-B2 5-bromo-1'-[(6-bromo-1H-indol-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US claimed
US-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-12 — — US claimed
US-8202993-B2 5-bromo-1'-[(6-bromo-1H-indol-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8202993-B2 5-bromo-1'-[(6-bromo-1H-indol-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8202993-B2 5-bromo-1'-[(6-bromo-1H-indol-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
EP-2102207-B1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-02 — — EP disclosed
EP-2102207-B1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-02 — — EP disclosed
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-19 — — US disclosed
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-19 — — US disclosed
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-19 — — US disclosed
WO-2008068185-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — WO disclosed
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-06-12 — — US disclosed
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-06-12 — — US disclosed
US-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-12 — — US disclosed
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-06-12 — — US disclosed
US-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-12 — — US disclosed
US-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-12 — — 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 (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-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KMT2A 862/4885NPC1 2144/4885RAB9A 399/4885
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KMT2A 862/4885NPC1 2144/4885RAB9A 399/4885
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KMT2A 862/4885NPC1 2144/4885RAB9A 399/4885

“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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