SCHEMBL4759316

SCHEMBL4759316

O=C1Nc2ccccc2C2(CCN(C(=O)c3cn(Cc4cccc(F)c4)c4cc(Cl)ccc34)CC2)O1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.59
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KLKB1 P03952 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F11 P03951 3/20 0.40
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40

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
SCHEMBL4759840 0.94 AVPR1A (0.60) AVPR1AKLKB1MEN1KMT2AF11
SCHEMBL4355159 0.88 AVPR1A (0.56) AVPR1AALDH1A1LMNAHTTNPSR1
SCHEMBL4758968 0.88 AVPR1A (0.57) AVPR1AF11PLD2PLD1
SCHEMBL4359308 0.85 AVPR1A (0.49) AVPR1AGAAALDH1A1LMNAHTT
SCHEMBL4760560 0.85 AVPR1A (0.65) AVPR1AF11
SCHEMBL4814755 0.85 AVPR1A (0.65) AVPR1AF11
SCHEMBL4759784 0.85 AVPR1A (0.59) AVPR1AF11PLD2PLD1
SCHEMBL4760113 0.85 AVPR1A (0.60) AVPR1AALDH1A1HTTF11PLD2
SCHEMBL4758961 0.84 AVPR1A (0.59) AVPR1AF11PLD2PLD1
SCHEMBL4365672 0.84 AVPR1A (0.57) AVPR1AMGAMGAASIMGAM2

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 3/4885MGAM 4883/4885GAA 4848/4885

“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.