SCHEMBL5999978

SCHEMBL5999978

Cc1c[nH]c2ccc(Oc3cc(Cl)ccc3CCN)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.53
TRPM8 Q7Z2W7 3/20 0.53
HTR1A P08908 12/20 0.50
HTR1B P28222 12/20 0.50
HTR1D P28221 12/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
HTR4 Q13639 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5999973 0.84 HTR2A (0.66) HTR2ASLC6A4KCNH2
SCHEMBL5999729 0.77 AHR (0.49) HTR2ATRPM8SLC6A4KCNH2
SCHEMBL6000303 0.76 ADRB2 (0.51) HTR2AHTR1DHTR6SLC6A4KCNH2
SCHEMBL2531643 0.75 TRPM8 (0.70) HTR2ATRPM8HTR1AHTR1BHTR1D
SCHEMBL5998632 0.73 NOS1 (0.51) HTR2ATRPM8MAPTSLC6A4KCNH2
SCHEMBL4086846 0.72 GPR84 (0.58) HTR2ATRPM8CYP1A2SLC6A4
SCHEMBL2535214 0.71 TRPM8 (0.78) HTR2ATRPM8HTR1AHTR1BHTR1D
SCHEMBL626030 0.71 HTR2A (1.00) HTR2ATRPM8HTR1AHTR1BHTR1D
SCHEMBL30724496 0.71 HTR2A (1.00) HTR2ATRPM8HTR1AHTR1BHTR1D
SCHEMBL1399242 0.70 HTR2A (0.60) HTR2ATRPM8HTR1AHTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B HTR2A 7/4885TRPM8 753/4885HTR1A 17/4885

“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.