SCHEMBL17709170

SCHEMBL17709170

COc1ccc2c(c1)OC1(CCN(C(=O)C(C)(C)CO)CC1)CC2N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
IDO1 P14902 3/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ROCK2 O75116 1/20 0.35
RIPK1 Q13546 1/20 0.35
NR3C1 P04150 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL17709147 0.80 CYP19A1 (0.60) CYP19A1KDM4EKMT2AALDH1A1GAA
SCHEMBL619734 0.77 MAPT (0.44) KDM4EMEN1MAPTKMT2ATSHR
SCHEMBL17709043 0.76 CYP19A1 (0.47) CYP19A1KDM4EKMT2ACNR2GPR55
SCHEMBL17709041 0.76 CYP19A1 (0.47) CYP19A1KDM4EKMT2ACNR2GPR55
SCHEMBL4352829 0.76 MAPT (0.44) KDM4EMEN1MAPTKMT2ATSHR
SCHEMBL17709092 0.76 CFTR (0.59)
SCHEMBL17709110 0.73 MAPT (0.42) CYP19A1KDM4EMEN1MAPTKMT2A
SCHEMBL17709203 0.71 IDO1 (0.47) IDO1MEN1KMT2ACNR2
SCHEMBL22446358 0.69 KMT2A (0.49) CYP19A1IDO1KMT2ATRPM8TRPV1
SCHEMBL3578838 0.68 MAPT (0.47) CYP19A1KDM4EMEN1MAPTKMT2A

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 994/4885IDO1 4103/4885KDM4E 4039/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CYP19A1 994/4885IDO1 4103/4885KDM4E 4039/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CYP19A1 994/4885IDO1 4103/4885KDM4E 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.