SCHEMBL4132003

SCHEMBL4132003

COc1cc(-c2ccccc2COC2CCNC2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
TGFBR1 P36897 2/20 0.44
ACVR1 Q04771 2/20 0.44
ACVR1B P36896 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
BRD4 O60885 2/20 0.39
REN P00797 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR1E P28566 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL4131996 1.00 KCNH2 (0.45) KCNH2SLC6A2SLC6A4SLC6A3TGFBR1
SCHEMBL4133233 0.88 SLC6A2 (0.45) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4133227 0.88 SLC6A2 (0.45) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4136235 0.84 SLC6A2 (0.44) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4136227 0.84 SLC6A2 (0.44) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4127777 0.84 HTR7 (0.47) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4127782 0.84 HTR7 (0.47) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4132660 0.83 NAAA (0.44) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4132656 0.83 NAAA (0.44) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4140686 0.83 SLC6A2 (0.49) KCNH2SLC6A2SLC6A4SLC6A3CHRNB2

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 KCNH2 673/4885SLC6A2 28/4885SLC6A4 18/4885

“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.