SCHEMBL485825

SCHEMBL485825

c1cc2c(cn1)C1(CCNCC1)OC2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
HASPIN Q8TF76 2/20 0.38
CDK19 Q9BWU1 1/20 0.38
OPRD1 P41143 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
Hydrochloric Acid SCHEMBL1003364 0.98 AVPR1A (0.43) AVPR1ACHRNB2CHRNA4CCNCCDK8
SCHEMBL13668210 0.87 CHRNB2 (0.43) AVPR1ACHRNB2CHRNA4CCNCCDK8
SCHEMBL25307002 0.83 AVPR1A (0.40) AVPR1ACHRNB2CHRNA4
SCHEMBL30527669 0.83 AVPR1A (0.40) AVPR1ACHRNB2CHRNA4
SCHEMBL30447448 0.83 AVPR1A (0.42) AVPR1ACCNCCDK8HASPINCDK19
SCHEMBL31059162 0.82 AVPR1A (0.39) AVPR1ACHRNB2CHRNA4
SCHEMBL23304985 0.82 AVPR1A (0.39) AVPR1ACHRNB2CHRNA4
SCHEMBL24204169 0.79 AVPR1A (0.45) AVPR1A
SCHEMBL14996486 0.79 AVPR1A (0.50) AVPR1AOPRD1
SCHEMBL30447418 0.79 AVPR1A (0.45) AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
EP-3218381-B1 SPIRO-THIAZOLONES HOFFMANN LA ROCHE (CH) 2019-01-23 EP disclosed
US-10092551-B2 Spiro-thiazolones HOFFMANN-LAROCHE INC. (US) 2018-10-09 US disclosed
EP-3218381-A1 SPIRO-THIAZOLONES F. Hoffmann-La Roche AG (CH) 2017-09-20 EP disclosed
US-20170246153-A1 SPIRO-THIAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-08-31 US disclosed
WO-2016075181-A1 SPIRO-THIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2016-05-19 WO disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20080281103-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-11-13 US disclosed
US-20080281103-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-11-13 US disclosed
WO-2008080844-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2008080844-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT AVPR1A 2904/4885CHRNB2 1715/4885CHRNA4 1770/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 AVPR1A 472/4885CHRNB2 432/4885CHRNA4 186/4885
US-10092551-B2 Spiro-thiazolones AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885CHRNB2 1987/4885CHRNA4 220/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 AVPR1A 301/4885CHRNB2 517/4885CHRNA4 425/4885
US-20080281103-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885CHRNB2 226/4885CHRNA4 48/4885
US-20080161332-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885CHRNB2 226/4885CHRNA4 48/4885
US-20080161333-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885CHRNB2 226/4885CHRNA4 48/4885
US-20170246153-A1 SPIRO-THIAZOLONES AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885CHRNB2 1987/4885CHRNA4 220/4885

“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.