SCHEMBL4759784

SCHEMBL4759784

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.59
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
OXTR P30559 1/20 0.39
F11 P03951 7/20 0.39
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 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 0.94 AVPR1A (0.57) AVPR1APLD2PLD1OXTRF11
SCHEMBL4759803 0.92 AVPR1A (0.58) AVPR1APLD2PLD1OXTRF11
SCHEMBL4758961 0.90 AVPR1A (0.59) AVPR1APLD2PLD1OXTRF11
SCHEMBL4759840 0.89 AVPR1A (0.60) AVPR1APLD2PLD1OXTRF11
SCHEMBL4760560 0.88 AVPR1A (0.65) AVPR1AOXTRF11
SCHEMBL4814755 0.88 AVPR1A (0.65) AVPR1AOXTRF11
SCHEMBL4760381 0.88 AVPR1A (0.62) AVPR1APLD2PLD1OXTRF11
SCHEMBL4759236 0.86 AVPR1A (0.58) AVPR1AOXTRF11
SCHEMBL4759148 0.85 AVPR1A (0.61) AVPR1AOXTRTSHR
SCHEMBL4811969 0.85 AVPR1A (0.72) AVPR1APLD2PLD1OXTRF11

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 8 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
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

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.