SCHEMBL3107813

SCHEMBL3107813

O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ IP6K1 Q92551 2/20 0.44
▸ GPR183 P32249 1/20 0.44
▸ CYP2A13 Q16696 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 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
SCHEMBL13157927 1.00 SIGMAR1 (0.45) SIGMAR1ALDH1A1IP6K1GPR183CYP2A13
SCHEMBL13157665 0.87 GPR183 (0.58) GPR183
SCHEMBL13158155 0.87 GPR183 (0.58) GPR183
SCHEMBL3099510 0.87 GPR183 (0.58) GPR183
SCHEMBL13157929 0.85 GPR183 (0.51) ALDH1A1GPR183KDM4E
SCHEMBL3089335 0.85 GPR183 (0.51) ALDH1A1GPR183KDM4E
SCHEMBL3092717 0.84 GPR183 (0.51) SIGMAR1GPR183
SCHEMBL13157747 0.84 GPR183 (0.51) SIGMAR1GPR183
SCHEMBL13157795 0.81 POLB (0.55) ALDH1A1MAPTPOLBCA12CA1
SCHEMBL3105142 0.81 POLB (0.55) ALDH1A1MAPTPOLBCA12CA1

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 SIGMAR1 700/4885ALDH1A1 1889/4885IP6K1 1179/4885

“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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