SCHEMBL634332

SCHEMBL634332

CC(C)CC(Br)(C(=O)c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
ITGA5 P08648 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNA3 P32297 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
CHRNA7 P36544 1/20 0.41
OPRK1 P41145 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2B6 P20813 1/20 0.40
GPR139 Q6DWJ6 2/20 0.40

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
SCHEMBL634172 0.79 SLC6A2 (0.45) KIF11SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL25008509 0.75 VNN1 (0.48) KIF11SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL769904 0.74 EPHX2 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5510929 0.72 NPC1 (0.45) KIF11MEN1KMT2AVNN1NPC1
SCHEMBL25007317 0.72 CES1 (0.48) KIF11VNN1NPC1RAB9AERCC5
SCHEMBL6763904 0.71 CES1 (0.47) CYP2C19HRH1OPRK1KCNH2CYP2B6
SCHEMBL28993105 0.71 NPC1 (0.44) KIF11MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22313259 0.70 GRIN1 (0.56) SLC6A2SLC6A3CHRNA1CHRNGITGA5
SCHEMBL1264958 0.70 CES1 (0.44) HRH1KCNH2MEN1KMT2AALDH1A1
SCHEMBL27363440 0.69 SCN5A (0.43) KIF11

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
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
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 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 (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 KIF11 2911/4885SLC6A2 1/4885SLC6A3 3/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 KIF11 2911/4885SLC6A2 1/4885SLC6A3 3/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 KIF11 2911/4885SLC6A2 1/4885SLC6A3 3/4885

“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.