SCHEMBL4131291

SCHEMBL4131291

c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 1.00
BACE1 P56817 19/20 1.00
BCHE P06276 18/20 1.00
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71

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
SCHEMBL5692288 1.00 ACHE (1.00) ACHEBACE1BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9639310 0.98 ACHE (0.97) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL22426273 0.92 ACHE (1.00) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL22426276 0.92 ACHE (1.00) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL28496734 0.91 BCHE (0.83) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL28511753 0.91 BCHE (0.83) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL14367985 0.90 ACHE (1.00) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL4982345 0.86 ACHE (0.75) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL4635732 0.86 ACHE (0.75) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL1908453 0.86 BCHE (0.75) ACHEBACE1BCHE

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-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
US-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
US-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
WO-2007116313-A2 PYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE CCR5 RECEPTORS PFIZER LIMITED (GB) 2007-10-18 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-20090124636-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CX3CR1 ACHE 1798/4885BACE1 3307/4885BCHE 4387/4885

“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.