SCHEMBL3323952

SCHEMBL3323952

CC(C)(C)OC(=O)N1CCC[C@H](COc2ccccc2OCc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.54
BCHE P06276 4/20 0.54
SCN9A Q15858 1/20 0.52
ACKR3 P25106 1/20 0.50
USP30 Q70CQ3 1/20 0.48
RBP4 P02753 1/20 0.48
PRMT5 O14744 3/20 0.47
YAP1 P46937 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KAT7 O95251 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL3323958 1.00 HTR6 (0.54) HTR6BCHESCN9AACKR3USP30
SCHEMBL7357696 0.90 YAP1 (0.55) HTR6BCHEACKR3PRMT5YAP1
SCHEMBL27157955 0.89 SCN9A (0.55) HTR6BCHESCN9AACKR3RBP4
SCHEMBL22623274 0.87 ACKR3 (0.53) HTR6BCHESCN9AACKR3USP30
SCHEMBL22617003 0.87 ACKR3 (0.53) HTR6BCHESCN9AACKR3USP30
SCHEMBL29605986 0.87 ACKR3 (0.53) HTR6BCHESCN9AACKR3USP30
SCHEMBL3323355 0.86 SCN9A (0.55) HTR6BCHESCN9AACKR3USP30
SCHEMBL27158910 0.86 SCN9A (0.55) HTR6BCHESCN9AACKR3USP30
SCHEMBL3323362 0.86 SCN9A (0.55) HTR6BCHESCN9AACKR3USP30
SCHEMBL27158584 0.85 SCN9A (0.54) HTR6BCHESCN9AACKR3RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR6 832/4885BCHE 3902/4885SCN9A 818/4885

“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.