SCHEMBL4823398

SCHEMBL4823398

Clc1ccc(OC2CCNC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.48
HTR2B P41595 5/20 0.48
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47

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
SCHEMBL13560051 1.00 HTR2C (0.48) HTR2CHTR2BCHRNB2CHRNA4
SCHEMBL943237 0.90 TDO2 (0.48)
Hydrochloric Acid SCHEMBL942643 0.89 TDO2 (0.47)
Hydrochloric Acid SCHEMBL2779881 0.89 TDO2 (0.47)
Hydrochloric Acid SCHEMBL28674299 0.85 SLC6A4 (0.45) HTR2CHTR2B
Acetic Acid SCHEMBL4103124 0.81 PAICS (0.46)
SCHEMBL30843204 0.81 FPR2 (0.49)
SCHEMBL4828298 0.81 CHRNB2 (0.47) HTR2CHTR2BCHRNB2CHRNA4
SCHEMBL28671432 0.81 TDO2 (0.52) HTR2CHTR2BCHRNB2CHRNA4
SCHEMBL18077122 0.81 TDO2 (0.52) HTR2CHTR2BCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345063-B2 Amides, preparation and therapeutic use as modulators of CCR-receptor activity ASTRAZENECA AB (SE) 2008-03-18 US disclosed
EP-1372651-B1 NOVEL AMIDES, PREPARATION AND THERAPEUTIC USE AS MODULATORS OF CCR-RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-03-07 EP disclosed
US-20040122020-A1 Novel amides, preparation and therapeutic use as modulators of ccr-receptor activity ASTRAZENECA AB (SE) 2004-06-24 US disclosed
EP-1372651-A1 NOVEL AMIDES, PREPARATION AND THERAPEUTIC USE AS MODULATORS OF CCR-RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002076457-A1 NOVEL AMIDES, PREPARATION AND THERAPEUTIC USE AS MODULATORS OF CCR-RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2002-10-03 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-20040122020-A1 Novel amides, preparation and therapeutic use as modulators of ccr-receptor activity CCR1, CCR4, CCR6 HTR2C 600/4885HTR2B 643/4885CHRNB2 372/4885

“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.