SCHEMBL6285218

SCHEMBL6285218

Nc1ncc(N2CCNCC2)nc1OCc1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.67
HTR2A P28223 2/20 0.67
HTR2B P41595 2/20 0.67
CHRM4 P08173 1/20 0.66
ADRB1 P08588 1/20 0.66
HTR1A P08908 1/20 0.66
CHRM5 P08912 1/20 0.66
CHRM1 P11229 1/20 0.66
CHRM3 P20309 1/20 0.66
FPR3 P25089 1/20 0.66
HTR1D P28221 1/20 0.66
HTR1B P28222 1/20 0.66
HTR1E P28566 1/20 0.66
GPR183 P32249 1/20 0.66
HTR7 P34969 1/20 0.66
HRH1 P35367 1/20 0.66
DRD3 P35462 1/20 0.66
HTR3A P46098 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
GPR35 Q9HC97 1/20 0.66

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
SCHEMBL905909 0.89 HTR2C (0.69) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL905962 0.87 HTR2C (0.67) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL905891 0.87 HTR2C (0.67) HTR2CHTR2AHTR2BCHRM4ADRB1
Formic Acid SCHEMBL6285731 0.82 HTR2C (0.60) HTR2CHTR2AHTR2BCHRM4ADRB1
Formic Acid SCHEMBL6282992 0.82 HTR2C (0.60) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL6278033 0.81 HTR2C (0.59) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL906152 0.80 HTR2C (0.67) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL31498036 0.80 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL905828 0.80 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL29462265 0.80 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM4ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 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 (3 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR2C 4/4885HTR2A 1/4885HTR2B 5/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR2C 4/4885HTR2A 1/4885HTR2B 5/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR2C 4/4885HTR2A 2/4885HTR2B 7/4885

“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.