SCHEMBL6958869

SCHEMBL6958869

c1ccc(C2CO2)c(OCn2nnc3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SLC9A1 P19634 5/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ GRM2 Q14416 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PTK2 Q05397 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL915304 0.86 NPC1 (0.47) NPC1RAB9ALMNAKMT2AL3MBTL1
SCHEMBL6962405 0.72 NPC1 (0.51) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL3463660 0.71 SLC9A1 (0.57) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL15871991 0.68 POLB (0.77) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL13604210 0.68 MGAM (0.54) NPC1RAB9AKMT2ASLC9A1
SCHEMBL5017651 0.68 SLC9A1 (0.59) NPC1RAB9ASLC9A1CYP2D6GRM2
SCHEMBL12001037 0.68 SLC9A1 (0.59) NPC1RAB9ALMNAKMT2ASLC9A1
SCHEMBL11302784 0.68 HTR2B (0.55) MEN1LMNAKMT2AL3MBTL1SMN1; SMN2
SCHEMBL2488643 0.68 SLC9A1 (0.65) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL29479886 0.68 SLC9A1 (0.65) NPC1RAB9AMEN1LMNAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 NPC1 1206/4885RAB9A 389/4885MEN1 3891/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 NPC1 1171/4885RAB9A 389/4885MEN1 3849/4885

“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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