SCHEMBL13157828

SCHEMBL13157828

O=C(c1ccc(Cl)cc1)N1CCN([C@@H]2CN(C(=O)c3ccc(Cl)cc3Nc3ccccc3)C[C@H]2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 2/20 0.52
L3MBTL3 Q96JM7 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA2C P18825 1/20 0.52
CHRM3 P20309 1/20 0.52
OPRK1 P41145 1/20 0.52
MBTD1 Q05BQ5 1/20 0.52
L3MBTL4 Q8NA19 1/20 0.52
PHF20 Q9BVI0 1/20 0.52
MORF4L1 Q9UBU8 1/20 0.52
SLC18A3 Q16572 2/20 0.43
MGLL Q99685 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3107714 1.00 TP53BP1 (0.52) TP53BP1L3MBTL3L3MBTL1CHRM2CHRM4
SCHEMBL13157966 0.95 CHRM2 (0.45) TP53BP1L3MBTL3L3MBTL1CHRM2CHRM4
SCHEMBL3105108 0.95 CHRM2 (0.45) TP53BP1L3MBTL3L3MBTL1CHRM2CHRM4
SCHEMBL13157694 0.92 CHRM2 (0.47) TP53BP1L3MBTL3L3MBTL1CHRM2CHRM4
SCHEMBL3098517 0.92 CHRM2 (0.47) TP53BP1L3MBTL3L3MBTL1CHRM2CHRM4
SCHEMBL13157817 0.88 NPSR1 (0.53) SLC18A3MGLLMEN1KMT2AALDH1A1
SCHEMBL3099912 0.88 NPSR1 (0.53) SLC18A3MGLLMEN1KMT2AALDH1A1
SCHEMBL13157832 0.87 FAAH (0.47) TP53BP1L3MBTL3L3MBTL1CHRM2CHRM4
SCHEMBL3099993 0.87 FAAH (0.47) TP53BP1L3MBTL3L3MBTL1CHRM2CHRM4
SCHEMBL3100379 0.86 TP53BP1 (0.54) TP53BP1L3MBTL3L3MBTL1SLC18A3CYP2C9

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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 US 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 TP53BP1 3833/4885L3MBTL3 4678/4885L3MBTL1 4317/4885

“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.