SCHEMBL17709152

SCHEMBL17709152

COC(=O)c1cccc([C@H]2C[C@@H](N)c3ccc(OC(F)F)cc3O2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.49
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
CYP19A1 P11511 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
GABRA1 P14867 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL19469601 0.90 CFTR (0.48) CFTRCYP19A1GABRA1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL20957902 0.89 CFTR (0.47) CFTRCYP19A1GABRA1TMEM97SIGMAR1
SCHEMBL17708692 0.85 CFTR (0.45) CFTRKMT2AMEN1CYP19A1LMNA
SCHEMBL17709125 0.84 ESR1 (0.47) CFTRKMT2AMEN1CYP19A1
SCHEMBL17709193 0.84 LOXL2 (0.38) CFTRKMT2AMEN1KDM4E
SCHEMBL17709088 0.84 RAB9A (0.43) CFTRKMT2AMEN1MAPT
SCHEMBL28649033 0.84 RAB9A (0.43) CFTRKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL19469636 0.83 RAB9A (0.43) CFTRKMT2AMEN1MAPTKDM4E
SCHEMBL17709034 0.83 CFTR (0.47) CFTRKMT2AATMLMNAKDM4E
SCHEMBL17709076 0.82 CFTR (0.49) CFTRCYP19A1KDM4EGABRA1TMEM97

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 CFTR 1/4885KMT2A 4725/4885MEN1 1408/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CFTR 1/4885KMT2A 4725/4885MEN1 1408/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CFTR 1/4885KMT2A 4725/4885MEN1 1408/4885

“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.