SCHEMBL4758995

SCHEMBL4758995

O=C1CC2(CCN(C(=O)c3c[nH]c4ccccc34)CC2)c2cc(Br)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 7/20 0.49
▸ HTT P42858 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CRBN Q96SW2 1/20 0.44
▸ CCR5 P51681 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ OXTR P30559 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41

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
SCHEMBL4758993 0.85 AVPR1A (0.44) AVPR1AHTTMAPK14GFERMGAM
SCHEMBL4359077 0.84 MGAM (0.53) AVPR1AHTTMAPK14GFERMGAM
SCHEMBL4359923 0.72 AVPR1A (0.58) AVPR1AHDAC1HDAC6OXTR
SCHEMBL4356598 0.72 AVPR1A (0.78) AVPR1AHTTMAPK14GFERMAPT
SCHEMBL2398699 0.72 GPR183 (0.57) —
SCHEMBL2399002 0.72 HRH4 (0.53) —
SCHEMBL2398469 0.71 KMT2A (0.57) HTTGAAMAPTDRD2DRD3
SCHEMBL2401624 0.70 HRH4 (0.56) MAPTDRD2DRD3
SCHEMBL2400179 0.70 HRH4 (0.43) DRD2DRD3
SCHEMBL5002805 0.70 HRH3 (0.39) CRBNDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351706-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-01 — — US claimed
US-20070155761-A1 Vasopressin receptor antagonists; dysmenorrhea, hypertension, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety; antidepressants; 1'-{[6-Chloro-1-(3,5-difluorobenzyl)-1H-indol-3-yl]carbonyl}spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one HOFFMANN-LA ROCHE INC. 2007-07-05 — — US claimed
EP-1973913-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-10-01 — — EP disclosed
US-7351706-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-01 — — US disclosed
US-7351706-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-01 — — US disclosed
US-7351706-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-01 — — US disclosed
WO-2007077122-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 — — WO disclosed
WO-2007077122-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 — — WO disclosed
US-20070155761-A1 Vasopressin receptor antagonists; dysmenorrhea, hypertension, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety; antidepressants; 1'-{[6-Chloro-1-(3,5-difluorobenzyl)-1H-indol-3-yl]carbonyl}spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one HOFFMANN-LA ROCHE INC. 2007-07-05 — — US disclosed
US-20070155761-A1 Vasopressin receptor antagonists; dysmenorrhea, hypertension, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety; antidepressants; 1'-{[6-Chloro-1-(3,5-difluorobenzyl)-1H-indol-3-yl]carbonyl}spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one HOFFMANN-LA ROCHE INC. 2007-07-05 — — US disclosed
US-20070155761-A1 Vasopressin receptor antagonists; dysmenorrhea, hypertension, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety; antidepressants; 1'-{[6-Chloro-1-(3,5-difluorobenzyl)-1H-indol-3-yl]carbonyl}spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one HOFFMANN-LA ROCHE INC. 2007-07-05 — — 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 (1 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-20070155761-A1 Vasopressin receptor antagonists; dysmenorrhea, hypertension, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety; antidepressants; 1'-{[6-Chloro-1-(3,5-difluorobenzyl)-1H-indol-3-yl]carbonyl}spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one AVPR2, OXTR, AVPR1A AVPR1A 3/4885HTT 700/4885MAPK14 4551/4885

“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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