SCHEMBL738649

SCHEMBL738649

CC1(C)OC2(CCNCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
AVPR1A P37288 1/20 0.43
OPRM1 P35372 2/20 0.40
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
TSHR P16473 1/20 0.34
HTR2B P41595 1/20 0.34
BACE1 P56817 1/20 0.34
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL25628434 0.88 AVPR1A (0.47) SIGMAR1AVPR1AHTR2A
SCHEMBL15428161 0.84 AVPR1A (0.45) AVPR1ASLC6A2SLC6A4
SCHEMBL15428164 0.82 AVPR1A (0.44) AVPR1ASLC6A2SLC6A4
SCHEMBL25358499 0.81 OPRM1 (0.36) SIGMAR1AVPR1AOPRM1
SCHEMBL30623481 0.80 HTR2C (0.42) DRD2HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL25356678 0.80 HTR2C (0.42) DRD2HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL16835918 0.79 AVPR1A (0.48) SIGMAR1AVPR1AOPRM1TSHRUSP2
SCHEMBL16835992 0.79 AVPR1A (0.48) SIGMAR1AVPR1AOPRM1TSHRUSP2
SCHEMBL6264633 0.78 AVPR1A (0.47) AVPR1ATSHR
SCHEMBL4979408 0.78 AVPR1A (0.53) SIGMAR1AVPR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430022-A1 1,2,3-TRIAZOLO Ý4,3-A¨PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS Janssen Pharmaceuticals, Inc. (US) 2012-03-21 EP claimed
WO-2010130424-A9 1,2,4-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) 2011-01-27 WO claimed
US-20230106150-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2023-04-06 US disclosed
US-11578077-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2023-02-14 US disclosed
US-10479796-B2 Spiro-oxazolones HOFFMAN-LA ROCHE INC. (US) 2019-11-19 US disclosed
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
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
EP-3083633-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2017-11-29 EP 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-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-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 EP disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 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 (9 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 SIGMAR1 11/4885AVPR1A 295/4885OPRM1 8/4885
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 334/4885AVPR1A 463/4885OPRM1 277/4885
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 SIGMAR1 10/4885AVPR1A 609/4885OPRM1 7/4885
US-11578077-B2 Spiro-oxazolones AVPR1A, AVPR1B, AVPR2 SIGMAR1 178/4885AVPR1A 1/4885OPRM1 33/4885
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 335/4885AVPR1A 491/4885OPRM1 251/4885
US-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 SIGMAR1 75/4885AVPR1A 7/4885OPRM1 13/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 SIGMAR1 26/4885AVPR1A 476/4885OPRM1 5/4885
US-20230106150-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 SIGMAR1 178/4885AVPR1A 1/4885OPRM1 33/4885
US-10479796-B2 Spiro-oxazolones AVPR1A, AVPR1B, AVPR2 SIGMAR1 178/4885AVPR1A 1/4885OPRM1 33/4885

“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.