SCHEMBL3109764

SCHEMBL3109764

COc1cc(C(=O)N2CC(O)[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ATM Q13315 1/20 0.46
▸ MCHR1 Q99705 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LSS P48449 1/20 0.44
▸ GPR183 P32249 1/20 0.43
▸ SLC18A3 Q16572 4/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ WNK1 Q9H4A3 1/20 0.43

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 0.89 ATM (0.47) KDM4EALDH1A1ATMMAPTSLC18A3
SCHEMBL3108515 0.89 ATM (0.47) KDM4EALDH1A1ATMMAPTSLC18A3
SCHEMBL13157851 0.88 GPR183 (0.48) LSSGPR183SLC18A3DRD2
SCHEMBL3105384 0.88 GPR183 (0.48) LSSGPR183SLC18A3DRD2
SCHEMBL3109683 0.88 LSS (0.46) TSHRLSSGPR183SLC18A3DRD2
SCHEMBL13157846 0.88 GPR183 (0.47) F10LSSGPR183SLC18A3DRD2
SCHEMBL3099995 0.88 GPR183 (0.47) F10LSSGPR183SLC18A3DRD2
SCHEMBL13157769 0.87 GPR183 (0.47) F10MCHR1LSSGPR183SLC18A3
SCHEMBL3093080 0.87 GPR183 (0.47) F10MCHR1LSSGPR183SLC18A3
SCHEMBL3088231 0.85 GPR183 (0.50) LSSGPR183SLC18A3DRD2

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 8 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-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-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 F10 2107/4885KDM4E 4629/4885ALDH1A1 1889/4885

“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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