SCHEMBL5065454

SCHEMBL5065454

CN(C(=O)c1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1)c1c2c(nn1C)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SPR P35270 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR3 P51677 1/20 0.33
POLB P06746 1/20 0.33

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
Hydrochloric Acid SCHEMBL5061752 0.99 ALDH1A1 (0.35) ALDH1A1KMT2AKDM4EMAPK1PPARG
SCHEMBL5057785 0.91 CNR1 (0.36) PPARGSPRCYP2C9CCR3OPRD1
SCHEMBL5062062 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMAPK1PPARG
SCHEMBL2578514 0.76 CCR5 (0.41) ALDH1A1KMT2AKDM4EMAPK1PPARG
SCHEMBL5061924 0.75 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EMAPK1PPARG
SCHEMBL5057795 0.74 PPARG (0.49) ALDH1A1KMT2AKDM4EMAPK1PPARG
SCHEMBL5063079 0.72 ALDH1A1 (0.42) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL775883 0.70 HTT (0.41) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL4759981 0.70 HTT (0.41) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9109184 0.69 SPR (0.44) KMT2AKDM4ESPRMEN1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US claimed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 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 (2 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-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders GPR119, GCGR, GLP1R ALDH1A1 3868/4885KMT2A 3065/4885KDM4E 3633/4885
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders GPR119, GCGR, GLP1R ALDH1A1 3868/4885KMT2A 3065/4885KDM4E 3633/4885

“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.