SCHEMBL3640314

SCHEMBL3640314

CCOc1cc(OC)ccc1CNC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.58
HTR2A P28223 6/20 0.58
KCNH2 Q12809 4/20 0.58
APLNR P35414 1/20 0.57
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
TSHR P16473 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL3640743 0.87 APLNR (0.57) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL680457 0.86 APLNR (0.76) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL29485595 0.86 APLNR (0.76) SLC6A4HTR2AKCNH2APLNRSLC6A2
Hydrochloric Acid SCHEMBL30718133 0.84 APLNR (0.73) SLC6A4HTR2AKCNH2APLNRSLC6A2
SCHEMBL24075695 0.82 APLNR (0.50) APLNRMTNR1AMTNR1BTSHR
SCHEMBL12844149 0.79 APLNR (0.47) APLNRMTNR1AMTNR1BTSHR
SCHEMBL9809277 0.79 APLNR (0.47) APLNRGAAMTNR1AMTNR1B
SCHEMBL11835176 0.79 APLNR (0.44) SLC6A4HTR2AKCNH2APLNRTP53
SCHEMBL14183054 0.77 CA12 (0.48) APLNRGAAMTNR1AMTNR1BTSHR
SCHEMBL12775731 0.77 APLNR (0.45) APLNRTP53GAAMTNR1AMTNR1B

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
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 SLC6A4 1228/4885HTR2A 1464/4885KCNH2 883/4885

“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.