SCHEMBL15081065

SCHEMBL15081065

CCC1(N2CCOCC2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ THRB P10828 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HCN4 Q9Y3Q4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL22958206 1.00 CRHBP (0.46) CRHBPCRHR2THRBLMNATDP1
SCHEMBL16945977 0.98 CRHBP (0.43) CRHBPCRHR2THRBLMNATDP1
SCHEMBL15499255 0.91 CRHBP (0.37) CRHBPCRHR2THRBLMNATDP1
SCHEMBL12513920 0.84 CRHBP (0.44) CRHBPCRHR2THRBLMNATDP1
SCHEMBL26745942 0.82 CRHBP (0.37) CRHBPCRHR2THRBLMNATDP1
SCHEMBL13197466 0.82 MEN1 (0.39) HCN4MAPT
SCHEMBL28151536 0.82 MEN1 (0.39) HCN4MAPT
SCHEMBL10129209 0.82 MEN1 (0.39) HCN4MAPT
SCHEMBL23980022 0.80 CRHBP (0.35) CRHBPCRHR2THRBLMNATDP1
SCHEMBL24357949 0.80 MEN1 (0.37) HCN4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 — — EP disclosed
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2017-03-16 — — US disclosed
US-9365552-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2016-06-14 — — US disclosed
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 — — EP disclosed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 — — EP disclosed
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2015-02-12 — — US disclosed
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF BAETTIG URS (GB) 2014-05-15 — — US disclosed
US-8476269-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2013-07-02 — — 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-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CRHBP 2618/4885CRHR2 2208/4885THRB 1701/4885
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CRHBP 2618/4885CRHR2 2208/4885THRB 1701/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CRHBP 2618/4885CRHR2 2208/4885THRB 1701/4885

“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.

Send feedback