SCHEMBL6471384

SCHEMBL6471384

CN[CH]C(C)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
SLC18A2 Q05940 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MAPT P10636 1/20 0.38
BCHE P06276 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL7228724 0.79 TSHR (0.44) TAAR1SIGMAR1TSHRRCE1MAPT
SCHEMBL31059717 0.77 TSHR (0.43) TAAR1SIGMAR1TSHRRCE1MAPT
SCHEMBL15077436 0.77 TSHR (0.43) TAAR1SIGMAR1TSHRRCE1MAPT
SCHEMBL6172748 0.77 SLC1A3 (0.47) TAAR1TSHRRCE1MAPTSLC1A3
SCHEMBL6239311 0.77 SLC1A3 (0.47) TAAR1TSHRRCE1MAPTSLC1A3
SCHEMBL4588952 0.77 SLC1A3 (0.47) TAAR1TSHRRCE1MAPTSLC1A3
SCHEMBL9250351 0.77 RCE1 (0.45) TSHRRCE1MAPTSLC1A3SLC1A2
SCHEMBL5139238 0.76 RCE1 (0.44) TAAR1SIGMAR1TSHRRCE1MAPT
SCHEMBL31453504 0.76 RCE1 (0.44) TAAR1SIGMAR1TSHRRCE1MAPT
SCHEMBL17386542 0.76 TSHR (0.41) TSHRRCE1MAPTSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 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 (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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 TAAR1 2644/4885SLC18A2 1865/4885SIGMAR1 1625/4885
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 TAAR1 3146/4885SLC18A2 4356/4885SIGMAR1 1580/4885

“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.