SCHEMBL4834758

SCHEMBL4834758

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2c(C)nn(C)c2-c2ccc(F)cc2)cc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.39
BTK Q06187 2/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPY5R Q15761 1/20 0.35
MMP1 P03956 3/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
EGFR P00533 1/20 0.35
PKM P14618 1/20 0.35
HPSE Q9Y251 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4835414 0.91 GRM5 (0.41) GRM5CYP1A2CYP2C19ALDH1A1GAA
SCHEMBL4825840 0.88 GRM5 (0.42) GRM5CYP1A2CYP2C19ALDH1A1GAA
SCHEMBL4825853 0.88 GRM5 (0.42) GRM5CYP1A2CYP2C19ALDH1A1GAA
SCHEMBL4829084 0.84 BTK (0.41) GRM5BTKALDH1A1NPY5RMMP1
SCHEMBL1060125 0.84 BTK (0.41) GRM5BTKALDH1A1NPY5RMMP1
SCHEMBL4829181 0.82 HDAC1 (0.46) CYP1A2ALDH1A1CYP2C9LMNARAB9A
SCHEMBL4834750 0.80 GRM5 (0.40) GRM5CYP1A2ALDH1A1GAACYP2C9
SCHEMBL4831387 0.80 BTK (0.39) BTKCYP1A2ALDH1A1GAACYP2C9
SCHEMBL4834770 0.80 GRM5 (0.40) GRM5CYP1A2ALDH1A1GAACYP2C9
SCHEMBL4829130 0.80 BTK (0.41) BTKMMP1MMP2MMP9EGFR

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 GRM5 341/4885BTK 3555/4885CYP1A2 231/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GRM5 341/4885BTK 3555/4885CYP1A2 231/4885

“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.