SCHEMBL6325942

SCHEMBL6325942

CC(C)C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
RCE1 Q9Y256 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
OPRM1 P35372 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
BACE1 P56817 1/20 0.39
ALKBH3 Q96Q83 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
SCHEMBL6326205 0.79 SSTR5 (0.51) SIGMAR1FAAHHTR2B
SCHEMBL6332815 0.79 SSTR5 (0.51) SIGMAR1FAAHHTR2B
SCHEMBL6332820 0.79 SSTR5 (0.51) SIGMAR1FAAHHTR2B
SCHEMBL6325637 0.79 CCR1 (0.47) SIGMAR1GAAMAPTTDP1L3MBTL1
SCHEMBL4036556 0.77 KCNH2 (0.58) SIGMAR1GAAMAPTGFERTDP1
SCHEMBL4491399 0.75 OPRM1 (0.49) SIGMAR1GAAMAPTGFERTDP1
SCHEMBL6322893 0.72 CCR3 (0.43) SIGMAR1POLBSMN1; SMN2HTR2BCCR3
SCHEMBL5745139 0.71 CCR3 (0.62) SIGMAR1MEN1KMT2ASMN1; SMN2FAAH
SCHEMBL5745142 0.71 CCR3 (0.62) SIGMAR1MEN1KMT2ASMN1; SMN2FAAH
SCHEMBL6325112 0.70 DRD2 (0.44) DRD2DRD4HTR2BCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists ROCHE PALO ALTO LLC 2005-04-28 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 (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-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists CCR9, CCR3, CCR1 SIGMAR1 589/4885GAA 4865/4885MAPT 4730/4885

“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.