SCHEMBL915304

SCHEMBL915304

Clc1ccc(OCn2nnc3ccccc32)c(C2CO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SLC9A1 P19634 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ GRM2 Q14416 6/20 0.42
▸ POLB P06746 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ PTK2 Q05397 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MGAM O43451 1/20 0.40
▸ AMY1A P0DUB6 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
SCHEMBL6958869 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL914790 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL14220724 0.67 POLB (0.59) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL3463660 0.66 SLC9A1 (0.57) NPC1RAB9AMAPTSLC9A1TDP1
SCHEMBL15871991 0.66 POLB (0.77) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL20855751 0.65 TP53 (0.43) RAB9APOLBALDH1A1HPGDKMT2A
SCHEMBL20855753 0.65 TP53 (0.43) RAB9APOLBALDH1A1HPGDKMT2A
SCHEMBL6962405 0.65 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL8514933 0.64 GRM2 (0.53) NPC1RAB9AGRM2LMNAKMT2A
SCHEMBL2488643 0.63 SLC9A1 (0.65) NPC1RAB9AMAPTSLC9A1TDP1

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 7 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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — WO 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 389/4885SMN1; SMN2 4303/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 NPC1 1171/4885RAB9A 389/4885SMN1; SMN2 4263/4885

“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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