SCHEMBL18295367

SCHEMBL18295367

Cc1ccc(OC[C@@H](C)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.52
SCN5A Q14524 3/20 0.52
MAOA P21397 3/20 0.52
LMNA P02545 2/20 0.52
SCN1A P35498 2/20 0.52
SCN9A Q15858 2/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
KCNK3 O14649 1/20 0.52
CACNA1F O60840 1/20 0.52
KCNK2 O95069 1/20 0.52
GBA1 P04062 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
SCN7A Q01118 1/20 0.52

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
SCHEMBL9479823 1.00 SCN4A (0.52) SCN4ASCN5AMAOALMNASCN1A
SCHEMBL19618912 1.00 SCN4A (0.52) SCN4ASCN5AMAOALMNASCN1A
SCHEMBL17947652 0.94 AAK1 (0.49) SCN4ASCN5AMAOALMNASCN1A
SCHEMBL19618883 0.83 CYP3A4 (0.55) SCN4AMAOALMNATSHRCYP1A2
SCHEMBL19618917 0.83 CYP3A4 (0.55) SCN4AMAOALMNATSHRCYP1A2
SCHEMBL8682210 0.83 SLC6A4 (0.59) SCN4ASCN5AMAOALMNASCN1A
SCHEMBL8682212 0.83 SLC6A4 (0.59) SCN4ASCN5AMAOALMNASCN1A
SCHEMBL2231003 0.82 TSHR (0.50) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL8607930 0.81 SCN4A (0.58) SCN4ASCN5AMAOALMNASCN1A
SCHEMBL8909086 0.81 MAOB (0.46) SCN4ASCN5AMAOALMNASCN1A

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-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 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-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 SCN4A 2385/4885SCN5A 1370/4885MAOA 670/4885

“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.