SCHEMBL13471789

SCHEMBL13471789

CC(C)(C)OC(=O)CC(c1ccc(Cl)c(N)c1)C1CC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APP P05067 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ FFAR1 O14842 2/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL13278671 0.89 SLC6A3 (0.37) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL22491768 0.89 SLC6A3 (0.37) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL30207003 0.89 SLC6A3 (0.37) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL13471811 0.87 SLC6A3 (0.39) KDM4ENPC1RAB9ALMNASLC6A2
SCHEMBL29743257 0.87 SLC6A3 (0.39) KDM4ENPC1RAB9ALMNASLC6A2
SCHEMBL13278673 0.80 NPC1 (0.34) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1932493 0.80 KDM4E (0.40) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1932001 0.80 KDM4E (0.40) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1932163 0.80 KDM4E (0.40) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL28894085 0.79 FFAR1 (0.35) FFAR1

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-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-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
EP-2697191-B1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER IP GMBH (DE) 2015-11-18 — — EP 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-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
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

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 KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA KDM4E 4051/4885NPC1 1146/4885RAB9A 4097/4885

“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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