SCHEMBL91086

SCHEMBL91086

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(OC3CCN(c4ccc(CF)cc4)CC3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CHRM4 P08173 4/20 0.47
ACHE P22303 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCHE P06276 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
CCR2 P41597 1/20 0.47
DRD4 P21917 2/20 0.46
SLC6A12 P48065 1/20 0.46
SLC6A13 Q9NSD5 1/20 0.46
RHEB Q15382 1/20 0.45
BACE1 P56817 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL62009 0.91 SLC6A5 (0.54) MAPTKDM4ECHRM4ACHEBCHE
SCHEMBL62036 0.78 DRD4 (0.69) DRD4SLC6A12SLC6A13MCHR1
SCHEMBL62137 0.78 ACHE (0.58) ACHEBCHEMAOAMAOBROCK2
SCHEMBL15354427 0.76 DRD4 (0.49) KDM4EACHEDRD4MCHR1
SCHEMBL4449531 0.76 ACHE (0.58) MAPTKDM4EACHEMAOBDRD4
SCHEMBL12226002 0.76 SLC6A12 (0.62) CHRM4ACHEDRD4SLC6A12
SCHEMBL12226771 0.76 OPRK1 (0.64) MAPTSMN1; SMN2DRD4SLC6A12SLC6A13
SCHEMBL649755 0.75 SLC6A5 (0.54) KDM4ECHRM4ACHEMAOBDRD4
SCHEMBL648725 0.75 CHRM4 (0.60) KDM4ECHRM4ACHEMAOBMCHR1
SCHEMBL15482290 0.75 DRD4 (0.52) DRD4MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 MAPT 2174/4885KDM4E 163/4885CHRM4 909/4885

“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.