SCHEMBL2102811

SCHEMBL2102811

O=C(NC1CCC1)c1ccc(-c2cc(Cl)ccc2O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.44
GCG P01275 1/20 0.43
CNR1 P21554 2/20 0.43
CHEK1 O14757 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
F10 P00742 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL3340724 0.84 NAAA (0.51) GRM5RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL2101693 0.80 PTGDR2 (0.47) GRM5NPC1RAB9ASMN1; SMN2GCG
SCHEMBL2102486 0.80 P2RX1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1GCG
SCHEMBL19947326 0.79 HPGD (0.63) GRM5NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2103458 0.78 PTGDR2 (0.50) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL23675401 0.78 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2099233 0.77 LMNA (0.53) GCGCNR1L3MBTL1
SCHEMBL26096785 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL23675423 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2100439 0.77 PTGDR2 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722741-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2014-05-13 US disclosed
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-7737135-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-1784388-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2009-11-04 EP disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 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 (3 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-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 GRM5 1927/4885NPC1 1236/4885RAB9A 2136/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 GRM5 1927/4885NPC1 1236/4885RAB9A 2136/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 GRM5 1927/4885NPC1 1236/4885RAB9A 2136/4885

“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.