SCHEMBL1714907

SCHEMBL1714907

COc1ccc(F)cc1CN1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
OPRD1 P41143 1/20 0.62
OPRK1 P41145 1/20 0.62
APOBEC3A P31941 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
KDM4E B2RXH2 3/20 0.53
CYP2D6 P10635 2/20 0.53
GNAI3 P08754 1/20 0.53
USP2 O75604 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 2/20 0.51
TACR1 P25103 2/20 0.50
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.49
KCNH2 Q12809 1/20 0.49
TSHR P16473 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
SCHEMBL7300721 0.85 CYP1A2 (0.62) SLC6A4CYP1A2CHRM2OPRD1OPRK1
SCHEMBL2734591 0.84 CYP1A2 (0.61) SLC6A4CYP1A2CHRM2OPRD1OPRK1
SCHEMBL591547 0.83 CYP2D6 (0.74) SLC6A4CYP1A2CHRM2OPRD1OPRK1
SCHEMBL9185135 0.82 CYP1A2 (0.59) SLC6A4CYP1A2CHRM2OPRD1OPRK1
Hydrochloric Acid SCHEMBL27141104 0.81 CYP2D6 (0.72) SLC6A4CYP1A2CHRM2OPRD1OPRK1
SCHEMBL14208975 0.81 LMNA (0.59) SLC6A4CYP1A2CHRM2OPRD1OPRK1
SCHEMBL1714117 0.81 SLC6A4 (0.58) SLC6A4CYP1A2CHRM2OPRD1OPRK1
SCHEMBL2922854 0.81 KDM4E (0.51) SLC6A4CYP1A2CHRM2OPRD1OPRK1
SCHEMBL29953174 0.80 CYP1A2 (0.57) SLC6A4CYP1A2CHRM2OPRD1OPRK1
Piperazine SCHEMBL28232159 0.80 CYP2D6 (0.70) SLC6A4CYP1A2CHRM2OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 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 (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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH SLC6A4 1113/4885CYP1A2 84/4885CHRM2 268/4885

“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.