SCHEMBL4821645

SCHEMBL4821645

Clc1cccc(OC2CCNC2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR1A P08908 4/20 0.45
SLC6A2 P23975 4/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PRKCZ Q05513 1/20 0.43

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
SCHEMBL4674512 0.90 MEN1 (0.50) CHRNB2CHRNA4HTR1ASLC6A2MEN1
Hydrochloric Acid SCHEMBL69091 0.89 MEN1 (0.49) CHRNB2CHRNA4HTR1ASLC6A2MEN1
Hydrochloric Acid SCHEMBL5341732 0.89 MEN1 (0.49) CHRNB2CHRNA4HTR1ASLC6A2MEN1
SCHEMBL24375542 0.81 CHRNB2 (0.50) CHRNB2CHRNA4HTR1ASLC6A2HTR2C
SCHEMBL29005480 0.81 CHRNB2 (0.50) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL28670808 0.81 CHRNB2 (0.50) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL28670810 0.81 CHRNB2 (0.50) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL28687141 0.81 CHRNB2 (0.50) CHRNB2CHRNA4HTR1ASLC6A2HTR2C
SCHEMBL16334168 0.78 FFAR4 (0.40) SLC6A2MEN1CYP1A2KMT2ASLC6A4
SCHEMBL16333901 0.78 MCHR1 (0.43) SLC6A2MEN1CYP1A2KMT2ASLC6A4

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 CHRNB2 372/4885CHRNA4 253/4885HTR1A 339/4885

“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.