SCHEMBL3256158

SCHEMBL3256158

O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)COc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
HRH4 Q9H3N8 1/20 0.55
MEN1 O00255 1/20 0.52
AVPR1A P37288 1/20 0.51
GPR183 P32249 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AXL P30530 1/20 0.47
MERTK Q12866 1/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FLT3 P36888 1/20 0.45

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
SCHEMBL3255328 0.88 AVPR1A (0.63) KMT2AHRH4MEN1AVPR1AGPR183
SCHEMBL4983490 0.88 HRH4 (0.55) KMT2AHRH4MEN1AVPR1AGPR183
SCHEMBL3252775 0.86 HRH4 (0.60) KMT2AHRH4MEN1AVPR1ANPC1
SCHEMBL13305869 0.86 HRH3 (0.47) KMT2AHRH4MEN1AVPR1APOLB
SCHEMBL4982397 0.85 DRD3 (0.49) KMT2AHRH4MEN1AVPR1AGPR183
SCHEMBL3252827 0.85 AVPR1A (0.52) KMT2AHRH4MEN1AVPR1AGPR183
SCHEMBL3252830 0.84 HRH3 (0.49) KMT2AHRH4MEN1AVPR1A
SCHEMBL3252816 0.82 HRH4 (0.55) KMT2AHRH4MEN1AVPR1AGPR183
SCHEMBL3257650 0.81 DRD2 (0.45) KMT2AHRH4MEN1AVPR1A
SCHEMBL4983507 0.80 NPC1 (0.60) KMT2AHRH4MEN1AVPR1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-19 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
EP-2102207-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-23 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
WO-2008068185-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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-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

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.