SCHEMBL17710174

SCHEMBL17710174

COC(=O)c1cccc([C@H]2C[C@H](N=[N+]=[N-])CCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
PPM1B O75688 1/20 0.35
CFTR P13569 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
GAA P10253 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
SCHEMBL17710179 0.80 PARP1 (0.43) PARP1ALDH1A1HPGDPPM1BCFTR
SCHEMBL17710221 0.80 PARP1 (0.43) PARP1ALDH1A1HPGDPPM1BCFTR
SCHEMBL17710246 0.79 PARP1 (0.45) PARP1ALDH1A1HPGDPPM1BCFTR
SCHEMBL17710216 0.79 PARP1 (0.45) PARP1ALDH1A1HPGDPPM1BCFTR
SCHEMBL17029485 0.76 TSHR (0.40) ALDH1A1HPGDKMT2A
SCHEMBL17708823 0.72 SCN9A (0.34) ALDH1A1HPGDPPM1BCFTRKMT2A
SCHEMBL17709059 0.72 SCN9A (0.34) ALDH1A1HPGDPPM1BCFTRKMT2A
SCHEMBL17708854 0.71 L3MBTL1 (0.39) ALDH1A1HPGDPPM1BKDM4EKMT2A
SCHEMBL17710190 0.71 PARP1 (0.43) PARP1ALDH1A1PPM1BKDM4EKMT2A
SCHEMBL17710219 0.70 PARP1 (0.40) PARP1ALDH1A1PPM1BKDM4EKMT2A

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-3212184-B1 SUBSTITUTED BENZOTETRAHYDROPYRANS AND THEIR USE ABBVIE OVERSEAS SARL (LU) 2020-04-01 EP disclosed
US-9567322-B2 Substituted tetrahydropyrans and method of use ABBVIE S.Á.R.L. (LU) 2017-02-14 US disclosed
US-20160122331-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2016-05-05 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-20160122331-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE CFTR, MRPL21, TACR1 PARP1 3964/4885ALDH1A1 1377/4885HPGD 703/4885

“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.