SCHEMBL1006409

SCHEMBL1006409

C[C@@H]1N[C@@H](C)CN(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PREP P48147 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
GRM2 Q14416 2/20 0.43
EPHX2 P34913 1/20 0.43
BRD4 O60885 1/20 0.43
ALOX12 P18054 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4678690 1.00 DDB1 (0.46) DDB1CRBNPREPHPGDTSHR
SCHEMBL5881507 1.00 DDB1 (0.46) DDB1CRBNPREPHPGDTSHR
SCHEMBL29256943 0.82 ALDH1A1 (0.49) DDB1CRBNPREPHPGDTSHR
SCHEMBL29256945 0.82 ALDH1A1 (0.49) DDB1CRBNPREPHPGDTSHR
SCHEMBL25095964 0.82 ALDH1A1 (0.49) DDB1CRBNPREPHPGDTSHR
SCHEMBL31495376 0.80 OPRK1 (0.42) DDB1CRBNPREPHPGDTSHR
SCHEMBL22506584 0.79 GRM2 (0.44) HPGDTSHRGAAGRM2CACNA1G
SCHEMBL8576437 0.78 OPRK1 (0.54) DDB1CRBNHPGDTSHRGAA
SCHEMBL8576433 0.78 OPRK1 (0.54) DDB1CRBNHPGDTSHRGAA
SCHEMBL13484174 0.76 HPGD (0.47) DDB1CRBNPREPHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A DDB1 3471/4885CRBN 2842/4885PREP 516/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH DDB1 1356/4885CRBN 491/4885PREP 4161/4885

“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.