SCHEMBL4837046

SCHEMBL4837046

CCC(CC)(c1ccc(NC(=O)CCc2cnn(C)c2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.39
HTR2C P28335 4/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRM1 P11229 1/20 0.37
MCHR1 Q99705 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4836511 0.91 RAB9A (0.38) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL4826262 0.89 HTR2A (0.40) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL4834035 0.83 ENPP2 (0.46) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL4834314 0.82 MAPT (0.41) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL4834295 0.82 MAPT (0.41) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL5777020 0.81 MAPT (0.42) HTR2AMAPTMEN1KMT2ALMNA
SCHEMBL4834860 0.80 MAPT (0.44) MAPTMEN1KMT2ATP53NPC1
SCHEMBL4835215 0.80 RXFP1 (0.40) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL4837050 0.79 MAPT (0.41) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL4826251 0.79 HTR2A (0.42) HTR2AHTR2CMAPTMEN1KMT2A

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 HTR2A 906/4885HTR2C 737/4885MAPT 3203/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HTR2A 906/4885HTR2C 737/4885MAPT 3203/4885

“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.