SCHEMBL769905

SCHEMBL769905

O=C(c1cccc(Cl)c1)C(CCC1CCCCC1)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
METAP2 P50579 2/20 0.41
SLC6A2 P23975 3/20 0.40
CHRNA1 P02708 2/20 0.40
CHRNG P07510 2/20 0.40
CHRNB1 P11230 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
SLC6A4 P31645 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRND Q07001 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EPHX2 P34913 2/20 0.40
ITGA5 P08648 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL769887 0.83 SLC6A2 (0.44) NPC1RAB9AMETAP2SLC6A2CHRNA1
SCHEMBL634333 0.76 SLC6A2 (0.45) NPC1SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL633217 0.70 SLC6A2 (0.57) NPC1RAB9AMETAP2SLC6A2CHRNA1
SCHEMBL769904 0.66 EPHX2 (0.43) NPC1RAB9AMETAP2L3MBTL1EPHX2
SCHEMBL6485308 0.66 METAP2 (0.81) NPC1RAB9AMETAP2L3MBTL1KMT2A
SCHEMBL6484202 0.66 METAP2 (0.81) NPC1RAB9AMETAP2L3MBTL1KMT2A
SCHEMBL6562801 0.66 METAP2 (0.52) NPC1RAB9AMETAP2SLC6A2SLC6A4
SCHEMBL7897653 0.66 CHRM1 (0.48) NPC1RAB9AMETAP2SLC6A2SLC6A4
SCHEMBL633272 0.65 SLC6A2 (0.60) NPC1RAB9AMETAP2SLC6A2CHRNA1
SCHEMBL3362673 0.65 PARP1 (0.57) NPC1SLC6A2CHRNA1CHRNGCHRNB1

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 NPC1 722/4885RAB9A 2855/4885METAP2 870/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 NPC1 722/4885RAB9A 2855/4885METAP2 870/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 NPC1 722/4885RAB9A 2855/4885METAP2 870/4885

“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.