SCHEMBL4826262

SCHEMBL4826262

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
CHRM1 P11229 1/20 0.40
MCHR1 Q99705 1/20 0.40
HTR2C P28335 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CNR1 P21554 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
SCHEMBL4835215 0.91 RXFP1 (0.40) HTR2AMCHR1HTR2CNPC1RAB9A
SCHEMBL4837046 0.89 HTR2A (0.39) HTR2ACHRM1MCHR1HTR2CNPC1
SCHEMBL4834035 0.85 ENPP2 (0.46) HTR2ACHRM1MCHR1HTR2CNPC1
SCHEMBL4826251 0.80 HTR2A (0.42) HTR2ACHRM1MCHR1HTR2CTP53
SCHEMBL4834633 0.80 HDAC1 (0.42) HTR2ACHRM1MCHR1HTR2CNPC1
SCHEMBL5773534 0.80 MAPT (0.42) HTR2ACHRM1MCHR1NPC1RAB9A
SCHEMBL4834608 0.80 HDAC1 (0.42) HTR2ACHRM1MCHR1HTR2CNPC1
SCHEMBL4836511 0.80 RAB9A (0.38) HTR2AMCHR1HTR2CRAB9AMAPT
SCHEMBL4837050 0.79 MAPT (0.41) HTR2ACHRM1MCHR1HTR2CTP53
SCHEMBL4831113 0.75 ENPP2 (0.46) HTR2AMCHR1HTR2CRAB9AMEN1

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 5 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
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 906/4885CHRM1 457/4885MCHR1 990/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HTR2A 906/4885CHRM1 457/4885MCHR1 990/4885

“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.