SCHEMBL15720844

SCHEMBL15720844

COc1cc(N)cc(OCCCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HRH3 Q9Y5N1 4/20 0.57
MAPK1 P28482 2/20 0.57
CYP1A2 P05177 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
HTR2A P28223 1/20 0.57
SCN1A P35498 1/20 0.57
HTR2B P41595 1/20 0.57
KCNH2 Q12809 1/20 0.57
SCN2A Q99250 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
SCN3A Q9NY46 1/20 0.57
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL15516600 0.93 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL15720852 0.91 TSHR (0.56) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL15721043 0.82 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL31314462 0.81 HRH3 (0.66) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL23804879 0.81 HRH3 (0.79) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL2087346 0.81 CYP2D6 (0.71) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL2230279 0.79 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL27289103 0.79 POLB (0.57) ALDH1A1KDM4ECYP2D6
SCHEMBL15721045 0.78 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2NPSR1KDM4E
SCHEMBL4036604 0.78 CYP2D6 (0.60) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732063-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-08-15 US disclosed
EP-2925742-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2016-10-26 EP disclosed
US-20150329523-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2015-11-19 US disclosed
EP-2925742-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-10-07 EP disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 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 (1 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-20150329523-A1 KINASE INHIBITORS SYK, SRC, BTK ALDH1A1 4202/4885TSHR 1905/4885SMN1; SMN2 4223/4885

“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.