SCHEMBL1848906

SCHEMBL1848906

Cc1cc(C(F)(F)F)n(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.41
▸ MERTK Q12866 5/20 0.40
▸ AXL P30530 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ GRM2 Q14416 2/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SLC34A1 Q06495 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL1989809 1.00 CRHR1 (0.41) CRHR1MERTKAXLTYRO3GRM2
SCHEMBL25745791 0.87 CRHR1 (0.42) CRHR1GRM2SLC6A2SLC6A4SLC6A3
SCHEMBL24007545 0.86 CRHR1 (0.43) CRHR1MERTKAXLTYRO3GRM2
SCHEMBL27326744 0.83 SLC6A2 (0.41) CRHR1MERTKGRM2SLC6A2SLC6A4
SCHEMBL25745792 0.83 CRHR1 (0.39) CRHR1GRM2SLC6A2SLC6A4SLC6A3
SCHEMBL1847258 0.77 CRHR1 (0.52) CRHR1MERTKAXLTYRO3
SCHEMBL1847257 0.77 CRHR1 (0.52) CRHR1MERTKAXLTYRO3
SCHEMBL27326738 0.77 SLC6A2 (0.43) CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL1853408 0.76 CRHR1 (0.42) CRHR1SLC34A1CNR1CNR2
SCHEMBL1853407 0.76 CRHR1 (0.42) CRHR1SLC34A1CNR1CNR2

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
EP-2323970-B1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2016-04-20 — — EP disclosed
CN-102143940-B Cyclohexyl amide derivatives as CRF-1 receptor antagonists and uses thereof NOVARTIS AG 2014-04-16 — — CN 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-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
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 CRHR1 2/4885MERTK 4041/4885AXL 549/4885
US-20110152261-A1 Organic compounds CRH, CRHR1, CRHR2 CRHR1 2/4885MERTK 4069/4885AXL 578/4885
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885MERTK 3130/4885AXL 855/4885

“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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