SCHEMBL16754398

SCHEMBL16754398

CC1(C)OC[C@@H](COc2cc(N)ccn2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
MAPK14 Q16539 9/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNJ5 P48544 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
SCHEMBL12654489 1.00 CA2 (0.43) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL16754678 1.00 CA2 (0.43) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL29748547 1.00 CA2 (0.43) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL29748692 1.00 CA2 (0.43) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL17778326 0.87 ALDH1A1 (0.36) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL17778616 0.87 ALDH1A1 (0.36) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL30781617 0.85 CCNK (0.42) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL17768163 0.83 NUDT1 (0.44) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL14881706 0.83 NUDT1 (0.44) CA2CCNKCDK12MAPK14ALDH1A1
SCHEMBL17768221 0.83 NUDT1 (0.44) CA2CCNKCDK12MAPK14ALDH1A1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303497-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USES THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD (CN) 2023-09-28 US disclosed
US-20230303497-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USES THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD (CN) 2023-09-28 US disclosed
US-20230303497-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USES THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD (CN) 2023-09-28 US disclosed
EP-4230618-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-08-23 EP disclosed
EP-4230618-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-08-23 EP disclosed
CN-114031518-B Benzylamine or benzyl alcohol derivative and application thereof 成都海博为药业有限公司 2023-08-18 CN disclosed
WO-2022121517-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF 成都海博为药业有限公司 2022-06-16 WO disclosed
WO-2022121517-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USE THEREOF 成都海博为药业有限公司 2022-06-16 WO disclosed
CN-114031518-A Benzylamine or benzyl alcohol derivative and application thereof 成都海博为药业有限公司 2022-02-11 CN disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CCNK 1153/4885CDK12 1089/4885
US-20230303497-A1 BENZYLAMINE OR BENZYL ALCOHOL DERIVATIVE AND USES THEREOF SCN8A, SCN9A, SCN10A CA2 2399/4885CCNK 3859/4885CDK12 4482/4885

“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.