SCHEMBL4362909

SCHEMBL4362909

CCc1ccc(-c2nc(Cn3c(C)c(C(=O)N4CCC5(CC4)OCc4ccccc45)c4ccccc43)c(C)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.67
AVPR2 P30518 1/20 0.67
MAPT P10636 8/20 0.42
NPSR1 Q6W5P4 5/20 0.42
USP2 O75604 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SPR P35270 1/20 0.39
XBP1 P17861 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4360749 0.91 AVPR1A (0.64) AVPR1AAVPR2ALDH1A1MEN1KMT2A
SCHEMBL4363723 0.90 AVPR1A (0.63) AVPR1AAVPR2MAPTLMNAALDH1A1
SCHEMBL4358612 0.87 AVPR1A (0.68) AVPR1AAVPR2MAPTALDH1A1MEN1
SCHEMBL4356565 0.86 AVPR1A (0.66) AVPR1AAVPR2MAPTNPSR1LMNA
SCHEMBL4355748 0.86 AVPR1A (0.61) AVPR1AAVPR2MAPTLMNAALDH1A1
SCHEMBL4359608 0.85 AVPR1A (0.64) AVPR1AAVPR2LMNAALDH1A1KMT2A
SCHEMBL4356246 0.84 AVPR1A (0.63) AVPR1AAVPR2KMT2ASPR
SCHEMBL4359530 0.81 AVPR1A (1.00) AVPR1AAVPR2SPRPOLB
SCHEMBL4357898 0.80 AVPR1A (0.85) AVPR1AAVPR2SPRPOLB
SCHEMBL13602884 0.80 AVPR1A (0.69) AVPR1AAVPR2SPR

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 15 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-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-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
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 EP 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-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
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 1/4885AVPR2 2/4885MAPT 4597/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR2 2/4885MAPT 4451/4885

“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.