SCHEMBL680002

SCHEMBL680002

Oc1ccc(Cl)cc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 4/20 0.42
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX12 P18054 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
HSP90AA1 P07900 3/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
HIF1A Q16665 3/20 0.41
HTT P42858 2/20 0.41
HSPA5 P11021 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SLC22A1 O15245 1/20 0.41

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
SCHEMBL14121396 0.84 TTR (0.53) HSD17B10TSHRHPGDALDH1A1KMT2A
SCHEMBL17744335 0.80 HSD17B10 (0.45) HSD17B10TSHRHPGDALOX15ALDH1A1
SCHEMBL20639120 0.78 CA3 (0.41) ALOX15ALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL900973 0.76 KMT2A (0.37) HSD17B10TSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL900975 0.76 GAA (0.44) TSHRHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL8812557 0.76 ALDH1A1 (0.46) HSD17B10TSHRHPGDALOX15ALDH1A1
SCHEMBL14018146 0.76 L3MBTL1 (0.39) HSD17B10TSHRHPGDKMT2AMAPT
SCHEMBL28323408 0.76 KMT2A (0.37) HSD17B10TSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL6441902 0.76 MAPT (0.46) HSD17B10TSHRHPGDALOX15ALDH1A1
SCHEMBL10672960 0.76 MAPT (0.43) HSD17B10TSHRALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259327-A1 Chemical Compounds PFIZER LIMITED (GB) 2015-09-17 US disclosed
US-20150259327-A1 Chemical Compounds PFIZER LIMITED (GB) 2015-09-17 US disclosed
US-20150259327-A1 Chemical Compounds PFIZER LIMITED (GB) 2015-09-17 US disclosed
US-9067922-B2 Chemical compounds PFIZER LIMITED (GB) 2015-06-30 US disclosed
US-9067922-B2 Chemical compounds PFIZER LIMITED (GB) 2015-06-30 US disclosed
US-9067922-B2 Chemical compounds PFIZER LIMITED (GB) 2015-06-30 US disclosed
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
US-20140315878-A1 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2014-10-23 US disclosed
US-20140315878-A1 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2014-10-23 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
CN-1950089-A Morpholine compounds PFIZER LTD (US) 2007-04-18 CN disclosed
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 EP disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 US disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 WO 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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 HSD17B10 2100/4885TSHR 3672/4885HPGD 2536/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 HSD17B10 4264/4885TSHR 4580/4885HPGD 3664/4885
US-20150259327-A1 Chemical Compounds SULT2A1, SULT1A1, SULT1E1 HSD17B10 2398/4885TSHR 831/4885HPGD 4483/4885
US-20140315878-A1 CHEMICAL COMPOUNDS SULT2A1, SULT1A1, SULT1E1 HSD17B10 2398/4885TSHR 831/4885HPGD 4483/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B HSD17B10 2940/4885TSHR 3645/4885HPGD 3273/4885

“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.