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
SCHEMBL18077122 0.81 TDO2 (0.52) HTR2CHTR2BCHRNB2CHRNA4
SCHEMBL28671432 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.

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