SCHEMBL13157682

SCHEMBL13157682

O=C(c1ccccc1Nc1ccccc1)N1C[C@@H](O)[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
AXL P30530 1/20 0.44
ATM Q13315 1/20 0.41
MLNR O43193 1/20 0.41
CYP3A4 P08684 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.40
DRD4 P21917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL3101069 1.00 FAAH (0.48) FAAHAXLATMMLNRCYP3A4
SCHEMBL3099993 0.93 FAAH (0.47) FAAHATMSIGMAR1LMNADRD4
SCHEMBL13157832 0.93 FAAH (0.47) FAAHATMSIGMAR1LMNADRD4
SCHEMBL3100888 0.88 FAAH (0.40) FAAHATMMLNRCYP3A4SMN1; SMN2
SCHEMBL13157967 0.88 FAAH (0.40) FAAHATMMLNRCYP3A4SMN1; SMN2
SCHEMBL3098517 0.87 CHRM2 (0.47) CYP3A4LMNASMN1; SMN2
SCHEMBL13157694 0.87 CHRM2 (0.47) CYP3A4LMNASMN1; SMN2
SCHEMBL13157799 0.83 L3MBTL1 (0.45) FAAHATMSIGMAR1LMNADRD4
SCHEMBL3098557 0.83 L3MBTL1 (0.45) FAAHATMSIGMAR1LMNADRD4
SCHEMBL13604133 0.83 L3MBTL1 (0.45) FAAHATMSIGMAR1LMNADRD4

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 6 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-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-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 FAAH 1368/4885AXL 1695/4885ATM 4099/4885

“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.