SCHEMBL17708762

SCHEMBL17708762

COC(=O)c1cccc([C@H]2CC(=NO)c3cc(C)ccc3O2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 8/20 0.40
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
ABCB1 P08183 1/20 0.38
AR P10275 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 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
SCHEMBL17708763 1.00 KMT2A (0.43) KMT2ARAB9AMAOBMEN1ALDH1A1
SCHEMBL17708761 1.00 KMT2A (0.43) KMT2ARAB9AMAOBMEN1ALDH1A1
SCHEMBL17709091 0.88 MEN1 (0.48) KMT2ARAB9AMAOBMEN1ALDH1A1
SCHEMBL17709093 0.88 MEN1 (0.48) KMT2ARAB9AMAOBMEN1ALDH1A1
SCHEMBL17709090 0.88 MEN1 (0.48) KMT2ARAB9AMAOBMEN1ALDH1A1
SCHEMBL17709028 0.87 RAB9A (0.58) KMT2ARAB9AMAOBNPC1ABCB1
SCHEMBL17709027 0.87 RAB9A (0.58) KMT2ARAB9AMAOBNPC1ABCB1
SCHEMBL19469678 0.82 CYP19A1 (0.55) MAOBABCB1ARABCG2
SCHEMBL17709186 0.82 MAOB (0.46) KMT2AMAOBMEN1ALDH1A1HTT
SCHEMBL17709188 0.82 MAOB (0.46) KMT2AMAOBMEN1ALDH1A1HTT

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 KMT2A 4725/4885RAB9A 509/4885MAOB 3188/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 KMT2A 4725/4885RAB9A 509/4885MAOB 3188/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 KMT2A 4725/4885RAB9A 509/4885MAOB 3188/4885

“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.