SCHEMBL18876751

SCHEMBL18876751

CCCCCN1/C(=C/C=C/C2=[N+](CCCS(=O)(=O)O)c3ccc4cc(-c5cc(C(=O)NCC)nc(C(=O)NCC)c5)ccc4c3C2(C)CS(=O)(=O)O)C(C)(C)c2c1ccc1cc(-c3cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.48
ADRB1 P08588 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CNR1 P21554 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2C P28335 1/20 0.48
BDKRB2 P30411 1/20 0.48
ADORA1 P30542 1/20 0.48
AGTR1 P30556 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL29309518 0.97 HRH2 (0.51) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL18893188 0.92 CHRM1 (0.48) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL101410 0.89 MLNR (0.47) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL18876746 0.89 MLNR (0.47) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL101398 0.87 MLNR (0.51) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL29309516 0.86 MLNR (0.51) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL19975739 0.86 MLNR (0.51) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL19975740 0.84 HRH2 (0.54) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL101509 0.84 PTPN1 (0.55) CHRM1CHRM3MLNRNR1I2PGR
SCHEMBL18876747 0.84 FOLH1 (0.43) CHRM1CHRM3MLNRNR1I2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145502-A1 MODIFIED NUCLEOTIDE REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-05-25 US disclosed
US-20170145496-A1 LABELED NUCLEOTIDE ANALOGS, REACTION MIXTURES, AND METHODS AND SYSTEMS FOR SEQUENCING PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-05-25 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 (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-20170145496-A1 LABELED NUCLEOTIDE ANALOGS, REACTION MIXTURES, AND METHODS AND SYSTEMS FOR SEQUENCING POLL, POLN, POLB CHRM1 4622/4885CHRM3 4295/4885MLNR 1617/4885

“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.