SCHEMBL1981602

SCHEMBL1981602

O=C(CCl)NCC1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 11/20 0.53
NPFFR2 Q9Y5X5 11/20 0.53
OPRK1 P41145 2/20 0.52
OPRL1 P41146 1/20 0.51
POLB P06746 1/20 0.50
CYP2D6 P10635 2/20 0.49
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL17609039 0.92 NPFFR1 (0.48) NPFFR1NPFFR2OPRK1OPRL1POLB
SCHEMBL19341592 0.88 NPFFR1 (0.56) NPFFR1NPFFR2OPRK1OPRL1POLB
SCHEMBL1316305 0.87 OPRL1 (0.55) NPFFR1NPFFR2OPRK1OPRL1POLB
SCHEMBL17608876 0.81 OPRL1 (0.48) NPFFR1NPFFR2OPRK1OPRL1POLB
SCHEMBL7822998 0.81 CYP2D6 (0.55) NPFFR1NPFFR2OPRL1POLBCYP2D6
SCHEMBL6213916 0.80 OPRL1 (0.59) OPRL1POLBCYP2D6CHRM2CHRM3
SCHEMBL5374713 0.80 CHRM4 (0.56) ALDH1A1
SCHEMBL17606266 0.80 OPRL1 (0.49) NPFFR1NPFFR2OPRK1OPRL1POLB
SCHEMBL2955511 0.80 CHRM4 (0.52) OPRL1POLBCYP2D6CHRM2CHRM3
SCHEMBL2348786 0.79 NPFFR1 (0.64) NPFFR1NPFFR2OPRL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 US disclosed
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 US disclosed
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 EP disclosed
EP-3194397-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) Chronos Therapeutics Limited (GB) 2017-07-26 EP disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 WO disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 WO disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1861098-A1 ANTI-INFLAMMATORY COMPOUNDS Novartis AG (CH) 2007-12-05 EP disclosed
EP-1861099-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 WO disclosed
WO-2006097292-A1 ANTI-INFLAMMATORY COMPOUNDS NOVARTIS AG (CH) 2006-09-21 WO disclosed
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2005-03-17 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 (5 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 NPFFR1 3488/4885NPFFR2 4186/4885OPRK1 4603/4885
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) SLC6A3, SLC6A4, SLC6A2 NPFFR1 724/4885NPFFR2 503/4885OPRK1 54/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO NPFFR1 3462/4885NPFFR2 3846/4885OPRK1 1081/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 NPFFR1 527/4885NPFFR2 783/4885OPRK1 209/4885
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA NPFFR1 1841/4885NPFFR2 2887/4885OPRK1 2238/4885

“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.