SCHEMBL4759803

SCHEMBL4759803

O=C1Nc2ccccc2C2(CCN(C(=O)c3cn(CC(=O)c4ccc(F)c(F)c4)c4cc(Cl)ccc34)CC2)O1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.58
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
F11 P03951 6/20 0.40
OXTR P30559 1/20 0.39
CNR1 P21554 1/20 0.37

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
SCHEMBL4758968 0.92 AVPR1A (0.57) AVPR1APLD2PLD1F11OXTR
SCHEMBL4759784 0.92 AVPR1A (0.59) AVPR1APLD2PLD1F11OXTR
SCHEMBL4758961 0.91 AVPR1A (0.59) AVPR1APLD2PLD1F11OXTR
SCHEMBL4368459 0.89 AVPR1A (0.55) AVPR1ACNR1
SCHEMBL4760560 0.88 AVPR1A (0.65) AVPR1AF11OXTRCNR1
SCHEMBL4814755 0.88 AVPR1A (0.65) AVPR1AF11OXTRCNR1
SCHEMBL14222624 0.85 AVPR1A (0.45) AVPR1APLD2PLD1F11
SCHEMBL4759236 0.85 AVPR1A (0.58) AVPR1AF11OXTRCNR1
SCHEMBL4811969 0.85 AVPR1A (0.72) AVPR1APLD2PLD1F11OXTR
SCHEMBL4759148 0.85 AVPR1A (0.61) AVPR1AOXTRCNR1

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 12 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
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 3/4885PLD2 1763/4885PLD1 2310/4885

“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.