SCHEMBL3330159

SCHEMBL3330159

Cc1ccc(Cl)c(Oc2ncccc2OC[C@H]2CCCNC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 5/20 0.48
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
SLC6A3 Q01959 2/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
KDM1A O60341 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
IRAK4 Q9NWZ3 5/20 0.41
SYK P43405 1/20 0.40
KCNH2 Q12809 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL3325133 1.00 HTR1A (0.48) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL3325733 0.86 SLC6A2 (0.51) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL3329940 0.86 SLC6A2 (0.51) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL3324752 0.85 CHRNB4 (0.46) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL3324758 0.85 CHRNB4 (0.46) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL3330214 0.84 IKBKB (0.46) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL3330413 0.84 IKBKB (0.46) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL3323314 0.84 IKBKB (0.46) CHRNB4CHRNA3IKBKBCHUKKDM1A
SCHEMBL3328733 0.84 IKBKB (0.46) CHRNB4CHRNA3IKBKBCHUKKDM1A
SCHEMBL3323225 0.83 HTR1A (0.54) HTR1ASLC6A2SLC6A4CHRNB4CHRNA3

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-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 HTR1A 302/4885SLC6A2 2609/4885SLC6A4 1898/4885

“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.