SCHEMBL3324787

SCHEMBL3324787

C[C@H](Oc1ccccc1OC1CCCCC1)[C@H]1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 9/20 0.41
SLC6A3 Q01959 7/20 0.41
SLC6A4 P31645 6/20 0.41
PDE4B Q07343 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL3324983 1.00 HTR1A (0.43) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL3324795 1.00 HTR1A (0.43) HTR1AADRA2AADRA2BADRA2CSLC6A2
Oxalic Acid SCHEMBL3325499 0.93 IRAK4 (0.41) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL23582850 0.82 IRAK4 (0.51) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL23582852 0.82 IRAK4 (0.51) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL3323892 0.81 SLC6A2 (0.48) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL3325927 0.81 SLC6A2 (0.48) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL3325931 0.81 SLC6A2 (0.48) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL3327020 0.80 ALOX15 (0.42) SLC6A2SLC6A3SLC6A4HTR2C
SCHEMBL3325173 0.80 ALOX15 (0.42) SLC6A2SLC6A3SLC6A4HTR2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US claimed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP claimed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO claimed
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US disclosed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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 302/4885ADRA2A 54/4885ADRA2B 42/4885

“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.