SCHEMBL6028844

SCHEMBL6028844

NC[C@H]1CCCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.43
CHRM2 P08172 5/20 0.43
CHRM1 P11229 5/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2B6 P20813 1/20 0.38
BPTF Q12830 1/20 0.35
CXCR4 P61073 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A1 P30531 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
SLC6A11 P48066 1/20 0.33

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
SCHEMBL27493917 0.82 CTSS (0.39) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL6929764 0.80 CHRM3 (0.50) CHRM3CHRM2CHRM1BPTFCXCR4
SCHEMBL7949007 0.80 CTSS (0.37) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL13597048 0.80 CYP1A2 (0.42) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL16226840 0.76 CYP2B6 (0.41) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL4391647 0.76 ALDH1A1 (0.49) CHRM3ATML3MBTL1CYP2B6
SCHEMBL7368147 0.74 CYP2B6 (0.43) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL7368148 0.74 CYP2B6 (0.43) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL10177756 0.72 BPTF (0.55) L3MBTL1BPTFCYP2D6
SCHEMBL6924076 0.72 CHRM2 (0.50) CHRM3CHRM2CHRM1CARM1PRMT6

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-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 CHRM3 125/4885CHRM2 1238/4885CHRM1 2034/4885

“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.