SCHEMBL769886

SCHEMBL769886

CC(C)(C)NC(CCC1CCCCC1)(C(=O)c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX1 P07099 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
METAP2 P50579 1/20 0.38
LDLR P01130 1/20 0.38
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL769904 0.80 EPHX2 (0.43) EPHX2NPC1RAB9AEPHX1L3MBTL1
SCHEMBL634172 0.78 SLC6A2 (0.45) NPC1RAB9AALDH1A1KCNH2MEN1
SCHEMBL25008509 0.69 VNN1 (0.48) NPC1RAB9AALDH1A1KCNH2MEN1
SCHEMBL769887 0.65 SLC6A2 (0.44) EPHX2NPC1RAB9AEPHX1L3MBTL1
SCHEMBL14593662 0.65 ALDH1A1 (0.54) L3MBTL1ALDH1A1KCNH2CACNA1IKDM4E
SCHEMBL633217 0.65 SLC6A2 (0.57) EPHX2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL634332 0.64 KIF11 (0.43) NPC1RAB9AALDH1A1KCNH2MEN1
SCHEMBL14593687 0.64 MGLL (0.57) L3MBTL1ALDH1A1KCNH2CACNA1IKDM4E
SCHEMBL31332613 0.64 ALDH1A1 (0.46) EPHX2NPC1RAB9AEPHX1L3MBTL1
SCHEMBL31332706 0.64 EPHX2 (0.53) EPHX2NPC1RAB9AEPHX1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 EPHX2 2235/4885NPC1 722/4885RAB9A 2855/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 EPHX2 2235/4885NPC1 722/4885RAB9A 2855/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 EPHX2 2235/4885NPC1 722/4885RAB9A 2855/4885

“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.