SCHEMBL4834035

SCHEMBL4834035

Cn1ncc(CCC(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.46
DGAT2 Q96PD7 1/20 0.46
HTR2A P28223 4/20 0.44
CHRM1 P11229 1/20 0.44
MCHR1 Q99705 1/20 0.44
KDR P35968 3/20 0.41
YES1 P07947 2/20 0.41
JAK3 P52333 2/20 0.41
CACNA1G O43497 1/20 0.40
TP53 P04637 1/20 0.39
HTR2C P28335 2/20 0.39
FLT1 P17948 1/20 0.39
POLB P06746 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4831113 0.90 ENPP2 (0.46) ENPP2DGAT2HTR2AMCHR1HTR2C
SCHEMBL4826251 0.90 HTR2A (0.42) HTR2ACHRM1MCHR1KDRYES1
SCHEMBL4837050 0.88 MAPT (0.41) HTR2ACHRM1MCHR1KDRYES1
SCHEMBL4826262 0.85 HTR2A (0.40) HTR2ACHRM1MCHR1TP53HTR2C
SCHEMBL4837046 0.83 HTR2A (0.39) HTR2ACHRM1MCHR1TP53HTR2C
SCHEMBL4833435 0.80 HDAC1 (0.44) HTR2ACHRM1MCHR1KDRFLT1
SCHEMBL4833418 0.80 HDAC1 (0.44) HTR2ACHRM1MCHR1KDRFLT1
SCHEMBL4835225 0.80 MCHR1 (0.41) HTR2AMCHR1TP53HTR2CMEN1
SCHEMBL4836516 0.79 MCHR1 (0.40) ENPP2DGAT2HTR2AMCHR1HTR2C
SCHEMBL4828997 0.77 ENPP2 (0.44) ENPP2DGAT2TP53MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ENPP2 1265/4885DGAT2 1992/4885HTR2A 906/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ENPP2 1265/4885DGAT2 1992/4885HTR2A 906/4885

“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.