SCHEMBL19253599

SCHEMBL19253599

Cc1cc(Br)ccc1[C@H]1OCCN(C=O)C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR1A P08908 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5 P09917 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL19253667 1.00 HPGD (0.35) HPGDHTTCYP3A4CYP2C9CYP2C19
SCHEMBL19253697 0.77 MAPT (0.31) HPGDHTTMEN1MAPTALOX15
SCHEMBL19253608 0.77 MAPT (0.31) HPGDHTTMEN1MAPTALOX15
SCHEMBL3715027 0.73 OPRM1 (0.39) HPGDKDM4EMEN1KMT2AOPRM1
SCHEMBL19253755 0.73 CTSL (0.37) HPGDHTTCTSLCTSKPOLB
SCHEMBL16102421 0.71 ALDH1A1 (0.33) HTTCTSLCTSKKDM4EMEN1
SCHEMBL31136242 0.68 KDM1A (0.35) OPRM1OPRD1OPRK1
SCHEMBL3830652 0.66 HTT (0.39) HPGDHTTPOLBMEN1MAPT
SCHEMBL28506474 0.65 QDPR (0.40) HTTCYP3A4CYP2C9POLBMEN1
SCHEMBL30623726 0.64 MAPT (0.40) HPGDHTTPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-11 US disclosed
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 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-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HPGD 853/4885HTT 4216/4885CYP3A4 1671/4885
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 HPGD 853/4885HTT 4216/4885CYP3A4 1671/4885

“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.