SCHEMBL1848823

SCHEMBL1848823

Cc1ccccc1C(=O)N[C@H]1CC[C@H](CNc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CRHR1 P34998 3/20 0.59
POLB P06746 3/20 0.56
BTK Q06187 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX15 P16050 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL1848822 1.00 NPC1 (0.60) NPC1RAB9ACRHR1POLBBTK
SCHEMBL1851117 0.91 CRHR1 (0.58) NPC1RAB9ACRHR1POLBBTK
SCHEMBL1851119 0.91 CRHR1 (0.58) NPC1RAB9ACRHR1POLBBTK
SCHEMBL3214247 0.84 CRHR1 (0.54) CRHR1BTKALDH1A1
SCHEMBL3214251 0.84 CRHR1 (0.54) CRHR1BTKALDH1A1
SCHEMBL457993 0.83 NPC1 (0.84) NPC1RAB9APOLBSMN1; SMN2GLA
SCHEMBL23573548 0.82 NPC1 (0.77) NPC1RAB9APOLBSMN1; SMN2GLA
SCHEMBL23573547 0.82 NPC1 (0.77) NPC1RAB9APOLBSMN1; SMN2GLA
SCHEMBL1850057 0.81 CRHR1 (0.67) CRHR1
SCHEMBL1850059 0.81 CRHR1 (0.67) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2014-03-27 US claimed
JP-2011529944-A 2011-12-15 JP claimed
EP-2323970-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS Novartis AG (CH) 2011-05-25 EP claimed
WO-2010015655-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO claimed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US claimed
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2014-03-27 US disclosed
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2014-03-27 US disclosed
US-8614213-B2 Cyclohexyl amide derivatives and their use as CRF-1 receptor antagonists NOVARTIS AG (CH) 2013-12-24 US disclosed
US-8273900-B2 Organic compounds NOVARTIS AG (CH) 2012-09-25 US disclosed
US-8273900-B2 Organic compounds NOVARTIS AG (CH) 2012-09-25 US disclosed
US-8273900-B2 Organic compounds NOVARTIS AG (CH) 2012-09-25 US disclosed
US-20110152261-A1 Organic compounds NOVARTIS AG (CH) 2011-06-23 US disclosed
US-20110152261-A1 Organic compounds NOVARTIS AG (CH) 2011-06-23 US disclosed
EP-2323970-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS Novartis AG (CH) 2011-05-25 EP disclosed
WO-2010015655-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
WO-2010015655-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 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 (3 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-20100035898-A1 Organic compounds CRH, CRHR1, CRHR2 NPC1 784/4885RAB9A 3533/4885CRHR1 2/4885
US-20110152261-A1 Organic compounds CRH, CRHR1, CRHR2 NPC1 627/4885RAB9A 3527/4885CRHR1 2/4885
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists CRHR1, CRH, CRHR2 NPC1 1205/4885RAB9A 2478/4885CRHR1 1/4885

“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.