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SCHEMBL17709055

SCHEMBL17709055

COC(=O)c1cccc([C@H]2C[C@H](N)c3ccc(F)nc3O2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ RBP4 P02753 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL17709105 1.00 NPC1 (0.37) NPC1RAB9ASCN9ALOXL2PARP1
SCHEMBL17708988 0.88 L3MBTL1 (0.42) NPC1RAB9ASCN9ALOXL2PARP1
SCHEMBL17708942 0.88 ALDH1A1 (0.36) NPC1RAB9ASCN9ALOXL2PARP1
SCHEMBL17708831 0.88 NPC1 (0.38) NPC1RAB9ASCN9ALOXL2PARP1
SCHEMBL17709046 0.88 NPC1 (0.38) NPC1RAB9ASCN9ALOXL2PARP1
SCHEMBL17708845 0.85 MAOB (0.41) NPC1RAB9ALOXL2PARP1MAOB
SCHEMBL17709059 0.83 SCN9A (0.34) NPC1RAB9ASCN9ALOXL2MRGPRX4
SCHEMBL17708823 0.83 SCN9A (0.34) NPC1RAB9ASCN9ALOXL2MRGPRX4
SCHEMBL17709119 0.82 NPC1 (0.38) NPC1RAB9ASCN9ALOXL2PARP1
SCHEMBL17708692 0.82 CFTR (0.45) NPC1RAB9ALOXL2PARP1MRGPRX4

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 NPC1 1450/4885RAB9A 509/4885SCN9A 1068/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 NPC1 1450/4885RAB9A 509/4885SCN9A 1068/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 NPC1 1450/4885RAB9A 509/4885SCN9A 1068/4885

“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.