SCHEMBL17709059

SCHEMBL17709059

COC(=O)c1cccc([C@H]2C[C@@H](N=[N+]=[N-])c3ccc(F)nc3O2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NPY5R Q15761 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
CNR2 P34972 1/20 0.33
RBP4 P02753 1/20 0.32
PPM1B O75688 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SDHB P21912 1/20 0.32
CFTR P13569 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL17708823 1.00 SCN9A (0.34) SCN9ANPC1RAB9ANPY5RMRGPRX4
SCHEMBL17708854 0.90 L3MBTL1 (0.39) SCN9ANPC1RAB9AMRGPRX4PPM1B
SCHEMBL17709046 0.84 NPC1 (0.38) SCN9ANPC1RAB9ANPY5RMRGPRX4
SCHEMBL17708831 0.84 NPC1 (0.38) SCN9ANPC1RAB9ANPY5RMRGPRX4
SCHEMBL17709055 0.83 NPC1 (0.37) SCN9ANPC1RAB9ANPY5RMRGPRX4
SCHEMBL17709105 0.83 NPC1 (0.37) SCN9ANPC1RAB9ANPY5RMRGPRX4
SCHEMBL17709095 0.73 L3MBTL1 (0.43) SCN9ANPC1RAB9AMRGPRX4MEN1
SCHEMBL17709149 0.73 L3MBTL1 (0.43) SCN9ANPC1RAB9AMRGPRX4MEN1
SCHEMBL17708942 0.72 ALDH1A1 (0.36) SCN9ANPC1RAB9AMEN1KMT2A
SCHEMBL17708988 0.72 L3MBTL1 (0.42) SCN9ANPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 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 (3 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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 SCN9A 1068/4885NPC1 1450/4885RAB9A 509/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 SCN9A 1068/4885NPC1 1450/4885RAB9A 509/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 SCN9A 1068/4885NPC1 1450/4885RAB9A 509/4885

“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.