SCHEMBL9963268

SCHEMBL9963268

CC(C)N1CCC2(CC1)OC(=O)c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
NPY5R Q15761 10/20 0.50
AVPR1A P37288 6/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL16997310 0.91 SIGMAR1 (0.52) SIGMAR1NPY5RAVPR1AHRH3
SCHEMBL8913424 0.83 SIGMAR1 (0.62) SIGMAR1NPY5RAVPR1AHRH3
SCHEMBL3774009 0.82 SIGMAR1 (0.53) SIGMAR1NPY5RHRH3
SCHEMBL9963270 0.82 HSD11B1 (0.49) SIGMAR1NPY5RAVPR1A
SCHEMBL12568770 0.80 HRH3 (0.52) SIGMAR1NPY5RAVPR1AHRH3
SCHEMBL8777675 0.80 SIGMAR1 (0.61) SIGMAR1NPY5RAVPR1A
SCHEMBL14543925 0.79 SIGMAR1 (0.70) SIGMAR1NPY5RAVPR1AHRH3
SCHEMBL8110392 0.79 SIGMAR1 (0.58) SIGMAR1NPY5RAVPR1AHRH3
SCHEMBL19398514 0.78 SIGMAR1 (0.61) SIGMAR1NPY5RAVPR1AHRH3
SCHEMBL12230594 0.78 PLD2 (0.53) SIGMAR1AVPR1A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
EP-2864331-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9682980-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-20 US disclosed
US-20150366987-A1 MONOCLONAL ANTIBODIES AGAINST HER2 EPITOPE AND METHODS OF USE THEREOF MERSANA THERAPEUTICS, INC. 2015-12-24 US disclosed
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2015-06-04 US disclosed
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2015-02-05 US disclosed
US-8927503-B2 Modulations of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2015-01-06 US disclosed
US-8901085-B2 2014-12-02 US disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 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
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 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-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
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 SIGMAR1 44/4885NPY5R 200/4885AVPR1A 1/4885
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B SIGMAR1 123/4885NPY5R 14/4885AVPR1A 1/4885
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2A SIGMAR1 161/4885NPY5R 949/4885AVPR1A 757/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 SIGMAR1 1623/4885NPY5R 766/4885AVPR1A 364/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 SIGMAR1 1668/4885NPY5R 660/4885AVPR1A 483/4885
US-20150366987-A1 MONOCLONAL ANTIBODIES AGAINST HER2 EPITOPE AND METHODS OF USE THEREOF ERBB2, EGFR, ERBB3 SIGMAR1 4553/4885NPY5R 1212/4885AVPR1A 3038/4885

“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.