SCHEMBL3254801

SCHEMBL3254801

O=C(c1cc2cc3c(cc2[nH]1)OCO3)N1CCC2(CC1)C(=O)Nc1ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ GPR183 P32249 7/20 0.44
▸ USP2 O75604 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ IP6K1 Q92551 5/20 0.43
▸ IP6K3 Q96PC2 1/20 0.43
▸ IP6K2 Q9UHH9 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ POLB P06746 1/20 0.40

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 0.87 HRH4 (0.58) KMT2AHRH4HRH3GPR183IP6K1
SCHEMBL3252765 0.87 HRH4 (0.58) KMT2AHRH4MEN1HRH3GPR183
SCHEMBL2400179 0.85 HRH4 (0.43) KMT2AHRH4MEN1HRH3GPR183
SCHEMBL3247041 0.83 GPR183 (0.59) KMT2AHRH4MEN1HRH3GPR183
SCHEMBL3247224 0.81 KMT2A (0.59) KMT2AHRH4MEN1GPR183RXFP1
SCHEMBL3255853 0.77 IP6K1 (0.43) HRH4HRH3GPR183IP6K1IP6K3
SCHEMBL3256593 0.77 HRH4 (0.54) HRH4GPR183IP6K1IP6K3IP6K2
SCHEMBL3252852 0.77 HRH4 (0.55) HRH4HRH3IP6K1IP6K3IP6K2
SCHEMBL3256192 0.73 IP6K1 (0.44) HRH4GPR183IP6K1IP6K3IP6K2
SCHEMBL3256194 0.73 IP6K1 (0.44) HRH4GPR183IP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 862/4885HRH4 315/4885MEN1 2323/4885
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KMT2A 862/4885HRH4 315/4885MEN1 2323/4885
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KMT2A 862/4885HRH4 315/4885MEN1 2323/4885

“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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