SCHEMBL4127782

SCHEMBL4127782

COc1ccccc1-c1ccccc1COC1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR1E P28566 1/20 0.47
HTR2B P41595 1/20 0.47
HTR3A P46098 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A3 Q01959 6/20 0.47
KCNH2 Q12809 3/20 0.47
NAAA Q02083 1/20 0.43
GNAI3 P08754 1/20 0.42
HTR2C P28335 2/20 0.41
HRH1 P35367 2/20 0.40

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
SCHEMBL4127777 1.00 HTR7 (0.47) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL4125254 0.89 SLC6A2 (0.52) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL4125251 0.89 SLC6A2 (0.52) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL4127305 0.88 SLC6A2 (0.47) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL4127310 0.88 SLC6A2 (0.47) HTR7HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL2980512 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2GNAI3
SCHEMBL4131947 0.87 HTR2B (0.48) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL4131957 0.87 HTR2B (0.48) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL4145139 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL4145133 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2HRH1

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-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 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-20090215857-A1 Therapeutic Pyrrolidines OPRL1, HTR5A, OPRD1 HTR7 162/4885HTR1A 61/4885HTR1D 43/4885

“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.