SCHEMBL1096003

SCHEMBL1096003

O=C(CCc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.67
DCTPP1 Q9H773 2/20 0.58
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48

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
SCHEMBL1095895 0.95 SCD (0.65) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL2429706 0.89 SCD (0.58) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1095915 0.88 SCD (0.75) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL2429972 0.87 SCD (0.60) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1094606 0.86 SCD (0.67) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1095120 0.86 SCD (0.59) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1094940 0.86 SCD (0.59) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1095356 0.85 SCD (0.65) SCDDCTPP1
Cyclohexane SCHEMBL2467082 0.85 SCD (0.61) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL14261640 0.85 SCD (0.61) SCDDCTPP1KDM4ELMNASMN1; SMN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651606-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-10-24 EP claimed
US-8153636-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-04-10 US claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-20100048584-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-02-25 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents DISCOVERY PARTNERS INTERNATIONAL, INC. 2006-09-07 US claimed
CN-1829691-A Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN claimed
EP-1651606-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-10-24 EP disclosed
US-8153636-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-04-10 US disclosed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP disclosed
EP-2316825-A1 Pyridyl derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
US-7919484-B2 Combination therapy XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed
US-20100048584-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-02-25 US disclosed
US-7605161-B2 1-Pentyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]-pyridin-3-yl}urea; inhibitors of stearoyl-CoA desaturase; cardiovascular disease, diabetes, obesity, metabolic syndrome XENON PHARMACEUTICALS INC. (CA) 2009-10-20 US disclosed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US disclosed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents DISCOVERY PARTNERS INTERNATIONAL, INC. 2006-09-07 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 (4 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-20100048584-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS PRMT9, SNRPD3, SCD SCD 3/4885DCTPP1 2501/4885KDM4E 1212/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885DCTPP1 4175/4885KDM4E 4395/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SCD 1/4885DCTPP1 3458/4885KDM4E 860/4885
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents PYCR1, PNPO, UQCRC1 SCD 6/4885DCTPP1 1972/4885KDM4E 3073/4885

“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.