SCHEMBL291876

SCHEMBL291876

CC1(C)O[C@@H](CO)[C@H](COCc2ccccc2)O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
PDE4D Q08499 3/20 0.42
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.36
TACR1 P25103 1/20 0.36
NT5E P21589 1/20 0.36
GYPA P02724 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10755388 1.00 SLC6A2 (0.44) SLC6A2PDE4DTSHRTAAR1ALDH1A1
SCHEMBL14655081 1.00 SLC6A2 (0.44) SLC6A2PDE4DTSHRTAAR1ALDH1A1
SCHEMBL15892811 0.98 SLC6A2 (0.44) SLC6A2PDE4DTSHRTAAR1ALDH1A1
SCHEMBL10978460 0.92 TSHR (0.48) SLC6A2TSHRTAAR1ALDH1A1LMNA
SCHEMBL10978467 0.92 TSHR (0.48) SLC6A2TSHRTAAR1ALDH1A1LMNA
SCHEMBL15892812 0.91 TSHR (0.47) SLC6A2TSHRTAAR1ALDH1A1LMNA
SCHEMBL15892809 0.91 TSHR (0.47) SLC6A2TSHRTAAR1ALDH1A1LMNA
SCHEMBL15658850 0.90 ALDH1A1 (0.43) SLC6A2PDE4DTSHRTAAR1ALDH1A1
SCHEMBL12770603 0.88 TSHR (0.39) SLC6A2PDE4DTSHRTAAR1ALDH1A1
SCHEMBL13156255 0.88 TSHR (0.39) SLC6A2PDE4DTSHRTAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY 2009-12-24 US disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP 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-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C SLC6A2 339/4885PDE4D 25/4885TSHR 2533/4885
US-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 SLC6A2 411/4885PDE4D 1124/4885TSHR 435/4885

“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.