SCHEMBL4140966

SCHEMBL4140966

OC[C@@H]1O[C@@H]1COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.53
PDE4D Q08499 1/20 0.51
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.40
NT5E P21589 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL4140962 1.00 SLC6A2 (0.53) SLC6A2PDE4DTSHRKDM4EPOLB
SCHEMBL31081717 1.00 SLC6A2 (0.53) SLC6A2PDE4DTSHRKDM4EPOLB
SCHEMBL7349197 1.00 SLC6A2 (0.53) SLC6A2PDE4DTSHRKDM4EPOLB
SCHEMBL15498506 1.00 SLC6A2 (0.53) SLC6A2PDE4DTSHRKDM4EPOLB
SCHEMBL7344189 1.00 SLC6A2 (0.53) SLC6A2PDE4DTSHRKDM4EPOLB
SCHEMBL4140963 1.00 SLC6A2 (0.53) SLC6A2PDE4DTSHRKDM4EPOLB
SCHEMBL8662256 1.00 SLC6A2 (0.53) SLC6A2PDE4DTSHRKDM4EPOLB
SCHEMBL24215035 0.90 TSHR (0.61) SLC6A2PDE4DTSHRTAAR1LMNA
SCHEMBL9679098 0.90 TSHR (0.61) SLC6A2PDE4DTSHRTAAR1LMNA
SCHEMBL13941992 0.90 TSHR (0.61) SLC6A2PDE4DTSHRTAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 SLC6A2 789/4885PDE4D 293/4885TSHR 2168/4885

“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.