SCHEMBL747866

SCHEMBL747866

O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 1.00
NPY5R Q15761 1/20 0.60
SSTR5 P35346 1/20 0.56
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55

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
Hydrochloric Acid SCHEMBL6314091 0.99 SIGMAR1 (0.97) SIGMAR1NPY5RSSTR5GRIN2DGRIN3B
SCHEMBL11838834 0.92 SIGMAR1 (0.85) SIGMAR1NPY5RGRIN2DGRIN3BGRIN1
SCHEMBL11834157 0.86 SIGMAR1 (0.76) SIGMAR1NPY5RGRIN2DGRIN3BGRIN1
SCHEMBL4214518 0.85 SIGMAR1 (0.74) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4216497 0.85 SIGMAR1 (0.74) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL749498 0.84 SIGMAR1 (0.73) SIGMAR1
SCHEMBL2359969 0.84 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2361177 0.84 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12488997 0.84 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4068737 0.84 SIGMAR1 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2018-09-11 US disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-20170008901-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-01-12 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
US-9226930-B2 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
US-20150141403-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2015-05-21 US disclosed
US-8937060-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2015-01-20 US disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO 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-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US disclosed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO disclosed
US-4031224-A 1,3-Dihydro-heteroarylspiro (isobenzofuran)s AMERICAN HOECHST CORPORATION (US) 1977-06-21 US disclosed
US-3985889-A 1,3-DIHYDROSPIRO(ISOBENZOFURAN); ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-10-12 US disclosed
US-3962259-A TRANQUILIZERS, ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-06-08 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 (8 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-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B SIGMAR1 123/4885NPY5R 14/4885SSTR5 96/4885
US-20160355522-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 SIGMAR1 178/4885NPY5R 162/4885SSTR5 195/4885
US-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders GRM2, GRM1, GRIA2 SIGMAR1 334/4885NPY5R 317/4885SSTR5 1619/4885
US-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SIGMAR1 237/4885NPY5R 356/4885SSTR5 509/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C SIGMAR1 335/4885NPY5R 367/4885SSTR5 2110/4885
US-20170008901-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 SIGMAR1 178/4885NPY5R 162/4885SSTR5 195/4885
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C SIGMAR1 335/4885NPY5R 367/4885SSTR5 2110/4885
US-20150141403-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C SIGMAR1 332/4885NPY5R 385/4885SSTR5 2051/4885

“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.