SCHEMBL4355318

SCHEMBL4355318

CCN(CC)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
AVPR1A P37288 5/20 0.49
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
IDE P14735 1/20 0.47
PSMB11 A5LHX3 1/20 0.46
PSMA7 O14818 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMA1 P25786 1/20 0.46
PSMA2 P25787 1/20 0.46
PSMA3 P25788 1/20 0.46
PSMA4 P25789 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMA5 P28066 1/20 0.46
PSMB4 P28070 1/20 0.46
PSMB6 P28072 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB10 P40306 1/20 0.46

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
SCHEMBL4355317 1.00 KMT2A (0.52) KMT2AAVPR1AALDH1A1MEN1MAPT
SCHEMBL4359976 0.90 AVPR1A (0.64) KMT2AAVPR1AHRH3NPY5R
SCHEMBL4359975 0.90 AVPR1A (0.64) KMT2AAVPR1AHRH3NPY5R
SCHEMBL13603001 0.86 AVPR1A (0.47) KMT2AAVPR1AALDH1A1MEN1SMN1; SMN2
SCHEMBL4355194 0.81 AVPR1A (0.75) AVPR1AHRH3NPY5R
SCHEMBL4355191 0.81 AVPR1A (0.75) AVPR1AHRH3NPY5R
SCHEMBL4356152 0.79 MEN1 (0.49) KMT2AAVPR1AALDH1A1MEN1MAPT
SCHEMBL4355173 0.78 AVPR1A (0.59) AVPR1AHRH3NPY5R
SCHEMBL4355177 0.78 AVPR1A (0.59) AVPR1AHRH3NPY5R
SCHEMBL4759017 0.78 AVPR1A (0.62) KMT2AAVPR1AMEN1PSMB11PSMA7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US claimed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP claimed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US claimed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US claimed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US claimed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 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 (2 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B KMT2A 1259/4885AVPR1A 1/4885ALDH1A1 639/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR KMT2A 2287/4885AVPR1A 1/4885ALDH1A1 1224/4885

“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.