SCHEMBL8193129

SCHEMBL8193129

NC(c1ccccc1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.48
TDO2 P48775 5/20 0.48
PDE2A O00408 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
TACR1 P25103 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
ATM Q13315 1/20 0.39

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
Hydrochloric Acid SCHEMBL3998671 0.98 IDO1 (0.50) IDO1TDO2PDE2ASMN1; SMN2MCL1
SCHEMBL9614053 0.81 PDE2A (0.49) IDO1TDO2PDE2ASMN1; SMN2MCL1
SCHEMBL10334633 0.81 IDO1 (0.44) IDO1TDO2PDE2ASMN1; SMN2MCL1
SCHEMBL22927822 0.80 IDO1 (0.42) IDO1TDO2IDO2
SCHEMBL2010847 0.79 ACP3 (0.55) IDO1TDO2ALDH1A1TACR1CACNA1F
SCHEMBL3836311 0.78 IDO1 (0.60) IDO1TDO2SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL2991689 0.77 ACP3 (0.53) IDO1TDO2ALDH1A1TACR1CACNA1F
SCHEMBL7988503 0.77 IDO1 (0.57) IDO1TDO2IDO2MAPTL3MBTL1
SCHEMBL22570757 0.77 IDO1 (0.57) IDO1TDO2IDO2MAPTL3MBTL1
SCHEMBL14120796 0.76 PDE2A (0.54) PDE2AMCL1MEN1KMT2AL3MBTL1

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
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE, INC. 2008-07-17 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 (3 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-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 IDO1 2260/4885TDO2 3825/4885PDE2A 749/4885
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder AVPR1A, AVPR2, AVPR1B IDO1 379/4885TDO2 3442/4885PDE2A 1615/4885
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 IDO1 2260/4885TDO2 3825/4885PDE2A 749/4885

“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.