SCHEMBL17709109

SCHEMBL17709109

CN(C)C=CC(=O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.74
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 2/20 0.41
CES2 O00748 1/20 0.41
HPGD P15428 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX12 P18054 1/20 0.40
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL31083945 1.00 GAA (0.74) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL17709107 1.00 GAA (0.74) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL320250 0.88 GAA (0.70) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL320249 0.88 GAA (0.70) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL30904841 0.88 GAA (0.70) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL4998379 0.85 GAA (1.00) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL5662627 0.82 GAA (0.79) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL31235763 0.82 GAA (0.69) GAAALDH1A1KDM4ECYP2C19MAOA
SCHEMBL15011607 0.81 GAA (0.68) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL15011606 0.81 GAA (0.68) GAAALDH1A1KDM4ECYP1A2CYP2C19

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 GAA 1995/4885ALDH1A1 3588/4885KDM4E 4039/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 GAA 1995/4885ALDH1A1 3588/4885KDM4E 4039/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 GAA 1995/4885ALDH1A1 3588/4885KDM4E 4039/4885

“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.