SCHEMBL4759079

SCHEMBL4759079

O=C1Nc2ccccc2C2(CCN(C(=O)c3cn(S(=O)(=O)c4cc(F)cc(F)c4)c4cc(Cl)ccc34)CC2)O1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.59
OXTR P30559 1/20 0.40
RORC P51449 1/20 0.40
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
F11 P03951 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TNF P01375 2/20 0.37
TNFSF11 O14788 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL4355941 0.88 AVPR1A (0.57) AVPR1AOXTR
SCHEMBL4760942 0.86 AVPR1A (0.65) AVPR1AOXTRPLD2PLD1F11
SCHEMBL4760381 0.85 AVPR1A (0.62) AVPR1AOXTRPLD2PLD1F11
SCHEMBL4368623 0.84 AVPR1A (0.48) AVPR1AOXTRPSEN1PSEN2APH1B
SCHEMBL4759840 0.84 AVPR1A (0.60) AVPR1AOXTRPLD2PLD1F11
SCHEMBL4355885 0.83 AVPR1A (0.58) AVPR1AOXTRPSEN1PSEN2APH1B
SCHEMBL4355165 0.83 AVPR1A (0.61) AVPR1AOXTRPSEN1PSEN2APH1B
SCHEMBL4759784 0.82 AVPR1A (0.59) AVPR1AOXTRPLD2PLD1F11
SCHEMBL4360893 0.82 AVPR1A (0.46) AVPR1AOXTRPSEN1PSEN2APH1B
SCHEMBL4758677 0.81 AVPR1A (0.63) AVPR1AOXTRPLD2PLD1F11

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
EP-1973913-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-10-01 EP claimed
US-7351706-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-01 US claimed
WO-2007077122-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 WO 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
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 3/4885OXTR 2/4885RORC 2090/4885

“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.