SCHEMBL4359991

SCHEMBL4359991

O=C(Cn1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)c2ccc(Cl)cc21)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.58
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OXTR P30559 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4359989 1.00 AVPR1A (0.58) AVPR1ACNR1ALDH1A1L3MBTL1OXTR
SCHEMBL4356581 0.91 AVPR1A (0.56) AVPR1ACNR1OXTR
SCHEMBL4356584 0.91 AVPR1A (0.56) AVPR1ACNR1OXTR
SCHEMBL4358740 0.90 AVPR1A (0.57) AVPR1ACNR1OXTR
SCHEMBL4358743 0.90 AVPR1A (0.57) AVPR1ACNR1OXTR
SCHEMBL4359619 0.87 AVPR1A (0.61) AVPR1ACNR1ALDH1A1L3MBTL1OXTR
SCHEMBL4358551 0.86 AVPR1A (0.57) AVPR1ACNR1OXTR
SCHEMBL4358554 0.86 AVPR1A (0.57) AVPR1ACNR1OXTR
SCHEMBL4362783 0.85 AVPR1A (0.68) AVPR1ACNR1ALDH1A1OXTR
SCHEMBL4362779 0.85 AVPR1A (0.68) AVPR1ACNR1ALDH1A1OXTR

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 AVPR1A 1/4885CNR1 29/4885ALDH1A1 639/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR AVPR1A 1/4885CNR1 29/4885ALDH1A1 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.