SCHEMBL574798

SCHEMBL574798

CCC(CI)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CCR5 P51681 1/20 0.44
TAAR1 Q96RJ0 5/20 0.40
CYP2D6 P10635 1/20 0.40
MIF P14174 1/20 0.39
HKDC1 Q2TB90 1/20 0.38
TRPA1 O75762 1/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 1/20 0.38
AOC3 Q16853 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 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
SCHEMBL502776 1.00 LMNA (0.48) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL169508 0.85 LMNA (0.56) LMNACCR5TAAR1CYP2D6MIF
Ammonia Solution, Strong SCHEMBL1640901 0.82 LMNA (0.54) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL1144581 0.81 CCR5 (0.49) LMNACCR5TAAR1CYP2D6MIF
Methylamine SCHEMBL27931105 0.80 LMNA (0.52) LMNACCR5TAAR1CYP2D6HTR2A
SCHEMBL14906018 0.78 LMNA (0.50) LMNACCR5TAAR1CYP2D6MIF
Hypochlorous Acid SCHEMBL11415854 0.78 LMNA (0.56) LMNACCR5TAAR1CYP2D6HKDC1
SCHEMBL1144422 0.77 CCR5 (0.46) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL233438 0.76 LMNA (0.48) LMNACCR5TAAR1CYP2D6MIF
SCHEMBL5610292 0.76 LMNA (0.48) LMNACCR5TAAR1CYP2D6MIF

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-11804603-B2 Electrodes for lithium-ion batteries and other FACTORIAL INC. (US) 2023-10-31 US disclosed
US-20230203212-A1 COPOLYMERS CONTAINING PENDANT IONOMERIC CARBOSILANE GROUPS US DEPARTMENT OF ENERGY 2023-06-29 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
CN-103228621-B Labeling reagent, and method for sequencing and quantifying polypeptide and protein using same 浦项工科大学校产学协力团 2016-06-15 CN disclosed
CN-103228621-A Labeling reagent, and amino acid sequence and protein multiplex quantitative simultaneous analysis method using same POSTECH ACAD IND FOUND 2013-07-31 CN disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 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 (1 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 LMNA 3018/4885CCR5 594/4885TAAR1 2181/4885

“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.