SCHEMBL4542599

SCHEMBL4542599

COc1ccc(CCNCc2cc(O)ccc2CO)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
SMPD1 P17405 1/20 0.58
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SLC22A1 O15245 1/20 0.55
ADRB2 P07550 1/20 0.55
CHRM2 P08172 1/20 0.55
ADRB1 P08588 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM1 P11229 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
SLC6A4 P31645 1/20 0.55
OPRM1 P35372 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 2/20 0.54
GLA P06280 1/20 0.54
BCHE P06276 2/20 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
SCHEMBL9689618 0.87 SMN1; SMN2 (0.67) SMN1; SMN2SMPD1ALDH1A1LMNANPSR1
SCHEMBL5069115 0.80 BCHE (0.76) SMN1; SMN2ALDH1A1LMNANPSR1SLC22A1
SCHEMBL9689514 0.76 CA1 (0.65) SMN1; SMN2SMPD1ALDH1A1KDM4EGLA
SCHEMBL7435099 0.76 ATM (0.76) SMN1; SMN2SMPD1ALDH1A1ADRB2KDM4E
SCHEMBL21830557 0.76 TYR (0.56) KDM4EATM
SCHEMBL2601955 0.76 POLB (0.61) SMN1; SMN2ALDH1A1LMNANPSR1KDM4E
SCHEMBL29492412 0.76 TYR (0.56) KDM4EATM
SCHEMBL4103880 0.75 SMPD1 (0.69) SMN1; SMN2SMPD1ALDH1A1NPSR1ADRB2
SCHEMBL17221925 0.75 SMN1; SMN2 (0.68) SMN1; SMN2SMPD1ALDH1A1KDM4EGLA
SCHEMBL1969765 0.75 POLB (0.65) SMN1; SMN2ALDH1A1LMNANPSR1SLC22A1

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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 SMN1; SMN2 641/4885SMPD1 658/4885ALDH1A1 730/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 SMN1; SMN2 641/4885SMPD1 658/4885ALDH1A1 730/4885

“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.