SCHEMBL628764

SCHEMBL628764

C=CCN(CC=C)c1ccc(O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
OPRM1 P35372 6/20 0.38
OPRD1 P41143 6/20 0.38
OPRK1 P41145 6/20 0.38
CRHR1 P34998 2/20 0.35
PTPN1 P18031 2/20 0.34
ESR2 Q92731 4/20 0.34
ESR1 P03372 3/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL11135325 0.83 OPRM1 (0.41) ALOX5OPRM1OPRD1OPRK1PTPN1
SCHEMBL1688846 0.81 CRHR1 (0.40) OPRK1CRHR1CYP3A4
SCHEMBL9861522 0.78 ALDH1A1 (0.42) ALOX5OPRM1OPRD1OPRK1PTPN1
SCHEMBL11129148 0.77 CYP3A4 (0.38) ALOX5OPRM1OPRD1OPRK1CRHR1
SCHEMBL7902140 0.74 ALDH1A1 (0.44) ESR2ESR1CYP3A4TSHRRECQL
SCHEMBL21426606 0.74 CNR1 (0.38) OPRK1CRHR1CYP3A4
SCHEMBL10970326 0.73 ESR1 (0.41) ALOX5OPRM1OPRD1OPRK1PTPN1
SCHEMBL544101 0.73 C5AR1 (0.44) ALOX5CRHR1PTPN1CYP3A4TSHR
SCHEMBL1018958 0.72 ESR1 (0.45) ALOX5OPRM1OPRD1OPRK1PTPN1
SCHEMBL3050943 0.72 ALDH1A1 (0.50) CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933129-B2 Compounds and methods for modulating activity of calcium release channels STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-13 US disclosed
US-20120101085-A1 Compounds And Methods For Modulating Activity Of Calcium Release Channels State of Oregon by and through the State Board of Higher Education on behalf of Portland State Univ. (US) 2012-04-26 US disclosed
EP-2418950-A1 COMPOUNDS AND METHODS FOR MODULATING ACTIVITY OF CALCIUM RELEASE CHANNELS State Of Oregon By&Through The State Board Of Higher Education On Behalf Of Portland State Unv. (US) 2012-02-22 EP disclosed
WO-2010120382-A1 COMPOUNDS AND METHODS FOR MODULATING ACTIVITY OF CALCIUM RELEASE CHANNELS STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2010-10-21 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-20120101085-A1 Compounds And Methods For Modulating Activity Of Calcium Release Channels RYR2, RYR1, CACNA1E ALOX5 1635/4885OPRM1 965/4885OPRD1 1090/4885

“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.