SCHEMBL1334836

SCHEMBL1334836

C[C@H]1CN[C@@H](c2ccccc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TSHR P16473 1/20 0.42
CYP2C19 P33261 2/20 0.39
HTR1A P08908 1/20 0.39
METTL3 Q86U44 1/20 0.38
PRCP P42785 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRNA7 P36544 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 4/20 0.36
CHRM4 P08173 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CHRM5 P08912 3/20 0.36
GBA1 P04062 1/20 0.34

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
SCHEMBL1334994 1.00 SLC6A2 (0.47) SLC6A2ADRA1AHTR2BSLC6A3TSHR
SCHEMBL1332817 1.00 SLC6A2 (0.47) SLC6A2ADRA1AHTR2BSLC6A3TSHR
SCHEMBL1334838 1.00 SLC6A2 (0.47) SLC6A2ADRA1AHTR2BSLC6A3TSHR
SCHEMBL1333855 0.82 CHRNA7 (0.35) SLC6A2ADRA1AHTR2BSLC6A3METTL3
SCHEMBL25331754 0.82 MDM2 (0.36) TSHRCYP2C19METTL3MEN1KMT2A
SCHEMBL25331394 0.82 MDM2 (0.36) TSHRCYP2C19METTL3MEN1KMT2A
SCHEMBL25331397 0.82 MDM2 (0.36) TSHRCYP2C19METTL3MEN1KMT2A
SCHEMBL1334868 0.82 CHRNA7 (0.35) SLC6A2ADRA1AHTR2BSLC6A3METTL3
SCHEMBL1333460 0.82 CHRNA7 (0.35) SLC6A2ADRA1AHTR2BSLC6A3METTL3
SCHEMBL25330400 0.82 MDM2 (0.36) TSHRCYP2C19METTL3MEN1KMT2A

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
WO-2018116285-A1 SUBSTITUTED MORPHOLINE DERIVATIVES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-06-28 WO disclosed
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 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-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 SLC6A2 966/4885ADRA1A 32/4885HTR2B 459/4885

“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.