SCHEMBL4130233

SCHEMBL4130233

COc1c(C)cc(-c2ccc(F)cc2COC2CCNC2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
SLC6A2 P23975 6/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 4/20 0.49
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
HTR1A P08908 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
BCL9 O00512 3/20 0.35
CTNNB1 P35222 3/20 0.35

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
SCHEMBL4130231 1.00 KCNH2 (0.49) KCNH2SLC6A2SLC6A4SLC6A3ACVR1B
SCHEMBL4137509 0.88 SLC6A2 (0.48) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4137506 0.88 SLC6A2 (0.48) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4137443 0.87 KCNH2 (0.51) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4137451 0.87 KCNH2 (0.51) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4137448 0.86 KCNH2 (0.53) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4137439 0.86 KCNH2 (0.53) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4137419 0.86 SLC6A2 (0.50) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4137423 0.86 SLC6A2 (0.50) KCNH2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4142178 0.84 SLC6A2 (0.54) KCNH2SLC6A2SLC6A4SLC6A3FFAR4

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.