SCHEMBL428101

SCHEMBL428101

C[C@H]([C@@H](C)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
AOC3 Q16853 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL26988540 1.00 TSHR (0.46) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL26987985 1.00 TSHR (0.46) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL26988083 1.00 TSHR (0.46) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL26989268 1.00 TSHR (0.46) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL18079513 0.83 TSHR (0.50) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL1593286 0.83 TSHR (0.50) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL5654192 0.82 TRPA1 (0.55) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL9841040 0.82 KDM4E (0.58) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL2636610 0.82 KDM4E (0.58) TSHRALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL2636608 0.82 KDM4E (0.58) TSHRALDH1A1SIGMAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 TSHR 293/4885ALDH1A1 1098/4885SIGMAR1 454/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 TSHR 293/4885ALDH1A1 1098/4885SIGMAR1 454/4885

“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.