SCHEMBL3108515

SCHEMBL3108515

COc1cc(C(=O)N2CC(O)C(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)C2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SLC18A3 Q16572 4/20 0.44
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TRPV6 Q9H1D0 1/20 0.42
▸ LMNA P02545 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
SCHEMBL13158015 1.00 ATM (0.47) ATMKDM4EMEN1KMT2ASLC18A3
SCHEMBL3109764 0.89 F10 (0.50) ATMKDM4ESLC18A3ALDH1A1MAPT
SCHEMBL13157849 0.87 KMT2A (0.52) MEN1KMT2ASLC18A3POLBALDH1A1
SCHEMBL3098323 0.87 KMT2A (0.52) MEN1KMT2ASLC18A3POLBALDH1A1
SCHEMBL3100951 0.87 KMT2A (0.52) MEN1KMT2ASLC18A3POLBALDH1A1
SCHEMBL13157952 0.87 KMT2A (0.52) MEN1KMT2ASLC18A3POLBALDH1A1
SCHEMBL13158012 0.86 POLB (0.46) KDM4EMEN1KMT2ASLC18A3POLB
SCHEMBL3108317 0.86 POLB (0.46) KDM4EMEN1KMT2ASLC18A3POLB
SCHEMBL13157845 0.86 MGLL (0.46) MEN1KMT2ASLC18A3POLBALDH1A1
SCHEMBL3107797 0.86 MGLL (0.46) MEN1KMT2ASLC18A3POLBALDH1A1

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 ATM 4099/4885KDM4E 4629/4885MEN1 2336/4885

“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.

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