SCHEMBL3099993

SCHEMBL3099993

O=C(c1ccc(Cl)cc1Nc1ccccc1)N1CC(O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.47
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
OPRK1 P41145 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
PHF20 Q9BVI0 1/20 0.42
MORF4L1 Q9UBU8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13157832 1.00 FAAH (0.47) FAAHCHRM2CHRM4CHRM5CHRM1
SCHEMBL3100888 0.95 FAAH (0.40) FAAHSMN1; SMN2MAPTNLRP3ATM
SCHEMBL13157967 0.95 FAAH (0.40) FAAHSMN1; SMN2MAPTNLRP3ATM
SCHEMBL13157682 0.93 FAAH (0.48) FAAHSMN1; SMN2NLRP3LMNAATM
SCHEMBL3101069 0.93 FAAH (0.48) FAAHSMN1; SMN2NLRP3LMNAATM
SCHEMBL13604133 0.88 L3MBTL1 (0.45) FAAHTP53BP1L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL3098557 0.88 L3MBTL1 (0.45) FAAHTP53BP1L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL13157799 0.88 L3MBTL1 (0.45) FAAHTP53BP1L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL13157819 0.88 F10 (0.44) FAAHSMN1; SMN2SLC6A12
SCHEMBL13157828 0.87 TP53BP1 (0.52) CHRM2CHRM4CHRM5CHRM1ADRA2C

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 2 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

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 FAAH 1368/4885CHRM2 1703/4885CHRM4 2339/4885

“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.