SCHEMBL17708692

SCHEMBL17708692

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.45
MRGPRX4 Q96LA9 1/20 0.41
MAOB P27338 3/20 0.40
KDM1A O60341 1/20 0.40
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
EPHX2 P34913 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
SCHEMBL17709125 0.88 ESR1 (0.47) CFTRCYP19A1KMT2AMEN1LOXL2
SCHEMBL17709193 0.88 LOXL2 (0.38) CFTRMAOBKMT2AMEN1LOXL2
SCHEMBL17709088 0.88 RAB9A (0.43) CFTRKDM1AKMT2AMEN1LOXL2
SCHEMBL28649033 0.88 RAB9A (0.43) CFTRKDM1AKMT2AMEN1LOXL2
SCHEMBL19469601 0.87 CFTR (0.48) CFTRMAOBCYP19A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19469636 0.87 RAB9A (0.43) CFTRMAOBKMT2AMEN1LOXL2
SCHEMBL17709034 0.86 CFTR (0.47) CFTRMRGPRX4MAOBKMT2ALMNA
Hydrochloric Acid SCHEMBL20957902 0.86 CFTR (0.47) CFTRMAOBCYP19A1SMN1; SMN2
SCHEMBL17709152 0.85 CFTR (0.49) CFTRCYP19A1KMT2AMEN1LMNA
SCHEMBL17709119 0.83 NPC1 (0.38) MRGPRX4MAOBKDM1AKMT2AMEN1

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 1/4885MRGPRX4 33/4885MAOB 3188/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CFTR 1/4885MRGPRX4 33/4885MAOB 3188/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CFTR 1/4885MRGPRX4 33/4885MAOB 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.