SCHEMBL3542926

SCHEMBL3542926

COC(=O)c1cccc(OCCCN)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
KMT2A Q03164 1/20 0.51
SMPD1 P17405 3/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
PRSS1 P07477 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
TP53 P04637 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
Hydrochloric Acid SCHEMBL6987514 0.98 LOXL2 (0.55) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5275584 0.95 LOXL2 (0.55) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL26999500 0.92 LOXL2 (0.58) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3248740 0.88 MRGPRX4 (0.56) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27572547 0.87 ALDH1A1 (0.61) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8002994 0.86 MRGPRX4 (0.57) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31536904 0.86 SMPD1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6811204 0.86 SMPD1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2087816 0.86 ALDH1A1 (0.56) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27825460 0.86 CYP4F2 (0.60) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013110679-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 LOXL2 2219/4885ALDH1A1 314/4885CYP1A2 334/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 LOXL2 2288/4885ALDH1A1 303/4885CYP1A2 353/4885

“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.