SCHEMBL13278673

SCHEMBL13278673

CC(C)(C)OC(=O)CC(c1ccc(Cl)c(N)c1)C1(F)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ APP P05067 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13278424 0.87 NPC1 (0.35) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL14798183 0.82 GABBR2 (0.36) KDM4ELMNASMN1; SMN2
SCHEMBL1905236 0.81 NPC1 (0.37) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL6902296 0.81 NPC1 (0.37) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL1904197 0.81 NPC1 (0.37) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL13471789 0.80 KDM4E (0.34) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL1932163 0.79 KDM4E (0.40) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL1932493 0.79 KDM4E (0.40) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL1932001 0.79 KDM4E (0.40) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL13278515 0.79 NPC1 (0.34) NPC1RAB9AKDM4ELMNASMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 — — US disclosed
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 — — US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 — — US disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 — — US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 — — US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 — — US disclosed
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-04 — — US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-16 — — US disclosed
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-16 — — US disclosed
US-8796335-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
US-8796335-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
EP-2697191-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-02-19 — — EP disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 — — US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 — — US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 — — US disclosed
WO-2012139888-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 — — WO disclosed
WO-2012139888-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 — — WO 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 (8 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-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA NPC1 1146/4885RAB9A 4097/4885KDM4E 4051/4885

“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.

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