SCHEMBL4462838

SCHEMBL4462838

C#CC1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.61
POLB P06746 1/20 0.59
CYP3A4 P08684 3/20 0.56
HSD17B10 Q99714 1/20 0.56
CCR3 P51677 1/20 0.55
SIGMAR1 Q99720 8/20 0.55
OPRM1 P35372 1/20 0.53
TSHR P16473 3/20 0.51
CYP2C19 P33261 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HIF1A Q16665 1/20 0.51
CYP2D6 P10635 3/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 2/20 0.51
DRD2 P14416 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL24854192 0.90 OPRL1 (0.54) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL62966 0.83 OPRM1 (0.65) OPRL1POLBCYP3A4HSD17B10CCR3
Hydrochloric Acid SCHEMBL1147552 0.82 OPRM1 (0.63) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL28548988 0.80 OPRL1 (0.71) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL17714554 0.78 OPRM1 (0.58) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL15325219 0.78 OPRM1 (0.57) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL8804780 0.77 OPRL1 (0.67) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL653329 0.77 OPRL1 (0.67) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL4460491 0.76 OPRL1 (0.52) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL7406058 0.76 OPRL1 (0.65) OPRL1POLBCYP3A4HSD17B10CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP claimed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO claimed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
CN-100497346-C Chemokine CCR5 receptor modulators ROCHE PALO ALTO LLC (CH) 2009-06-10 CN disclosed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
CN-1918171-A Chemokine ccr5 receptor modulators ROCHE PALO ALTO LLC (CH) 2007-02-21 CN disclosed
EP-1716156-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP disclosed
WO-2005075484-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO disclosed
EP-0414422-B1 2-Oxo-1-oxa-8-azaspiro [4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-04-06 EP disclosed
EP-0412820-B1 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-03-02 EP disclosed
US-5157038-A Antidepressants; tranquilizers; treatment of schizophrenia and epilepsy; antilepmic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-10-20 US disclosed
EP-0414421-A2 1-Oxa-2-oxo-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-27 EP disclosed
EP-0414422-A2 2-Oxo-1-oxa-8-azaspiro [4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-27 EP disclosed
EP-0413516-A2 4-Methylene-1-oxa-2-oxo-8-azaspiro[4,5]decane derivatives, pharmaceutical compositions containing them and processes for preparing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-20 EP disclosed
CN-1049348-A New 2-oxo-1-oxa--8-azaspiro [4,5] decane derivative contains their pharmaceutical composition and preparation method thereof RICHTER GEDEON VEGYESZET (HU) 1991-02-20 CN disclosed
EP-0412821-A2 1-oxa-2-oxo-3,8-diazaspiro[4,5]decane derivatives, pharmaceutical compositions containing them and processes for preparing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-13 EP disclosed
EP-0412820-A2 2-Oxo-1-oxa-8-azaspiro[4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-13 EP 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 (1 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-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 OPRL1 53/4885POLB 812/4885CYP3A4 1857/4885

“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.