SCHEMBL3098588

SCHEMBL3098588

O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(Cc3ccc4ccccc4c3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ DRD4 P21917 2/20 0.51
▸ GPR183 P32249 1/20 0.48
▸ OPRL1 P41146 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LSS P48449 2/20 0.46
▸ FAAH O00519 1/20 0.45
▸ CCR8 P51685 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MC4R P32245 1/20 0.44
▸ MC5R P33032 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL13182425 1.00 MCHR1 (0.55) MCHR1NPC1DRD4GPR183OPRL1
SCHEMBL13157922 1.00 MCHR1 (0.55) MCHR1NPC1DRD4GPR183OPRL1
SCHEMBL3099510 0.90 GPR183 (0.58) GPR183LSS
SCHEMBL13158155 0.90 GPR183 (0.58) GPR183LSS
SCHEMBL13157665 0.90 GPR183 (0.58) GPR183LSS
SCHEMBL13157747 0.87 GPR183 (0.51) GPR183KMT2AMEN1LSSFAAH
SCHEMBL3092717 0.87 GPR183 (0.51) GPR183KMT2AMEN1LSSFAAH
SCHEMBL3100371 0.86 FAAH (0.58) FAAH
SCHEMBL13157872 0.86 FAAH (0.58) FAAH
SCHEMBL3088231 0.86 GPR183 (0.50) GPR183LSS

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 MCHR1 426/4885NPC1 683/4885DRD4 4020/4885

“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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