SCHEMBL1923804

SCHEMBL1923804

CCC1CCCCN1Cc1c(C)nn2c(-c3c(C)cc(C)cc3C)c(C)oc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ CFB P00751 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ NPY1R P25929 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL1922146 0.81 HRH3 (0.37) ALDH1A1CFBKMT2AMEN1HRH3
SCHEMBL1922398 0.70 CRHR1 (0.44) —
SCHEMBL1924443 0.70 CRHR1 (0.37) —
SCHEMBL2260399 0.67 MAPK1 (0.36) ALDH1A1MAPK1NPY1RPOLB
SCHEMBL7598555 0.62 CFB (0.41) ALDH1A1CRHBPCRHR2SMN1; SMN2CFB
SCHEMBL1924149 0.59 CRHR1 (0.35) —
SCHEMBL24447814 0.57 MAPK1 (0.59) ALDH1A1CRHBPCRHR2SMN1; SMN2MAPK1
SCHEMBL13215732 0.57 ALDH1A1 (0.57) ALDH1A1CRHBPCRHR2SMN1; SMN2MAPK1
SCHEMBL11990423 0.57 MAPK1 (0.59) ALDH1A1CRHBPCRHR2SMN1; SMN2MAPK1
SCHEMBL2259318 0.57 CRHR1 (0.35) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529943-A — — 2011-12-15 — — JP claimed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US claimed
EP-2328902-A1 PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS Novartis AG (CH) 2011-06-08 — — EP claimed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 — — WO claimed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 — — US claimed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 — — US disclosed
EP-2328902-A1 PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS Novartis AG (CH) 2011-06-08 — — EP disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 — — US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 — — US disclosed
US-20100035874-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 (1 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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 ALDH1A1 1728/4885CRHBP 6/4885CRHR2 3/4885

“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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