SCHEMBL17708802

SCHEMBL17708802

COc1ccc2c(c1)OC(C1CCCO1)C/C2=N\O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.40
MAOB P27338 6/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
APP P05067 1/20 0.37
MAPT P10636 1/20 0.37
SNCA P37840 1/20 0.37
KMT2A Q03164 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
SCHEMBL17708805 1.00 CYP19A1 (0.40) CYP19A1MAOBCYP3A4GAAMEN1
SCHEMBL17708950 0.84 CYP19A1 (0.43) CYP19A1MAOBCYP3A4MEN1ALDH1A1
SCHEMBL17708951 0.84 CYP19A1 (0.43) CYP19A1MAOBCYP3A4MEN1ALDH1A1
SCHEMBL17708769 0.82 CYP19A1 (0.56) CYP19A1MAOBCYP3A4GAA
SCHEMBL14341913 0.72 MAPT (0.46) CYP19A1MAOBCYP3A4MEN1ALDH1A1
SCHEMBL5177217 0.71 MAPT (0.49) CYP19A1MAOBCYP3A4GAAMEN1
SCHEMBL5177223 0.71 MAPT (0.49) CYP19A1MAOBCYP3A4GAAMEN1
Methyl Alcohol SCHEMBL17761488 0.70 HPGD (0.37) CYP19A1GAAMAPT
Hydrochloric Acid SCHEMBL17708867 0.69 GAA (0.37) CYP19A1GAAMAPT
SCHEMBL874411 0.68 KDM4E (0.48) CYP19A1CYP3A4GAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3212189-A1 SUBSTITUTED CHROMANES AND METHOD OF USE AbbVie S.À.R.L. (LU) 2017-09-06 EP 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
WO-2016069757-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO 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 CYP19A1 994/4885MAOB 3188/4885CYP3A4 227/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CYP19A1 994/4885MAOB 3188/4885CYP3A4 227/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CYP19A1 994/4885MAOB 3188/4885CYP3A4 227/4885

“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.