SCHEMBL5158469

SCHEMBL5158469

Cc1cc(F)ccc1C1CNCCC1OCc1ccccc1I

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.39
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
KCNH2 Q12809 4/20 0.35
HTR2A P28223 4/20 0.35
REN P00797 5/20 0.35
HTR2C P28335 3/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
HTR1A P08908 2/20 0.33
CHRM3 P20309 1/20 0.33
HTR2B P41595 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL5158982 0.90 HTR6 (0.40) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5156155 0.89 SLC6A2 (0.44) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6493637 0.88 SLC6A2 (0.39) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5162642 0.88 HTR6 (0.39) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5160924 0.86 HTR6 (0.43) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5162287 0.86 SLC6A2 (0.40) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5159575 0.86 SSTR4 (0.43) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5158072 0.85 HTR2A (0.41) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5162250 0.85 REN (0.44) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5159152 0.83 HTR6 (0.39) HTR6SLC6A2SLC6A4SLC6A3KCNH2

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-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 HTR6 406/4885SLC6A2 628/4885SLC6A4 491/4885

“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.