SCHEMBL4832250

SCHEMBL4832250

CN[C@@H](C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 7/20 0.35
SLC6A4 P31645 7/20 0.35
KCNH2 Q12809 6/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ADRB2 P07550 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR2 O15552 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4150839 1.00 TSHR (0.40) TSHRALDH1A1HTR2ASLC6A4KCNH2
Hydrochloric Acid SCHEMBL5394551 0.98 TSHR (0.38) TSHRALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL4835323 0.85 HTR2A (0.40) ALDH1A1HTR2ASLC6A4KCNH2GPR139
SCHEMBL4835331 0.85 HTR2A (0.40) ALDH1A1HTR2ASLC6A4KCNH2GPR139
SCHEMBL8204393 0.82 ADRB2 (0.42) TSHRALDH1A1GABRA1GABRB1GRN
SCHEMBL15211303 0.80 RAPGEF4 (0.41) HTR2ASLC6A4KCNH2GRNSORT1
SCHEMBL4755186 0.80 RAPGEF4 (0.41) HTR2ASLC6A4KCNH2GRNSORT1
SCHEMBL15211468 0.80 RAPGEF4 (0.41) HTR2ASLC6A4KCNH2GRNSORT1
SCHEMBL178548 0.78 COASY (0.44) ALDH1A1SLC6A4GPR139MEN1KMT2A
SCHEMBL8246636 0.78 COASY (0.44) ALDH1A1SLC6A4GPR139MEN1KMT2A

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-7442692-B2 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-10-28 US disclosed
EP-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP 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 (1 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-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 TSHR 764/4885ALDH1A1 614/4885HTR2A 86/4885

“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.