SCHEMBL8248490

SCHEMBL8248490

CN(CCNC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)N1CCC2(CC1)OC(=O)c1cc(F)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.42
MDM2 Q00987 4/20 0.35
MDM4 O15151 3/20 0.35
AHCY P23526 1/20 0.33
OXTR P30559 1/20 0.33
NPY5R Q15761 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HSD11B1 P28845 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4373342 0.91 AVPR1A (0.45) AVPR1AMDM2MDM4OXTRNPY5R
SCHEMBL4373345 0.91 AVPR1A (0.45) AVPR1AMDM2MDM4OXTRNPY5R
SCHEMBL4365470 0.90 AVPR1A (0.46) AVPR1AMDM2MDM4OXTRNPY5R
SCHEMBL4365472 0.90 AVPR1A (0.46) AVPR1AMDM2MDM4OXTRNPY5R
SCHEMBL8250027 0.86 AVPR1A (0.47) AVPR1AMDM2MDM4OXTRNPY5R
SCHEMBL4358396 0.86 AVPR1A (0.49) AVPR1AMDM2OXTRNPY5RHSD11B1
SCHEMBL4358393 0.86 AVPR1A (0.49) AVPR1AMDM2OXTRNPY5RHSD11B1
Hydrochloric Acid SCHEMBL4359095 0.85 AVPR1A (0.47) AVPR1AMDM2MDM4OXTRNPY5R
Hydrochloric Acid SCHEMBL4359092 0.85 AVPR1A (0.47) AVPR1AMDM2MDM4OXTRNPY5R
SCHEMBL5178810 0.84 AVPR1A (0.45) AVPR1AMDM2MDM4OXTRNPY5R

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 9 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 disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US 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-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
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
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO 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 AVPR1A 1/4885MDM2 2387/4885MDM4 4869/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR AVPR1A 1/4885MDM2 1610/4885MDM4 4862/4885

“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.