SCHEMBL6961448

SCHEMBL6961448

CC1(C)O[C@H]2CCN(C(=O)OCc3ccccc3)C[C@H]2O1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.54
GRIN2B Q13224 7/20 0.49
HTT P42858 1/20 0.49
PDE4B Q07343 1/20 0.47
USP30 Q70CQ3 1/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.43
HTR2C P28335 1/20 0.43
FAAH O00519 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
SCHEMBL914595 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1669072 0.91 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL72092 0.91 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2621368 0.85 MEN1 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL24938850 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL376463 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1467671 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29546211 0.81 MEN1 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25063583 0.81 MEN1 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL31727138 0.81 MEN1 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 9 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-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-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-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
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 SMN1; SMN2 4303/4885NPC1 1206/4885RAB9A 389/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SMN1; SMN2 4263/4885NPC1 1171/4885RAB9A 389/4885

“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.