SCHEMBL6635524

SCHEMBL6635524

CCC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 15/20 0.62
NPFFR2 Q9Y5X5 15/20 0.62
OPRK1 P41145 1/20 0.51
SIGMAR1 Q99720 3/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL16926455 0.91 NPFFR1 (0.60) NPFFR1NPFFR2OPRK1SIGMAR1
SCHEMBL4508281 0.87 NPFFR1 (0.57) NPFFR1NPFFR2OPRK1SIGMAR1IDO1
SCHEMBL14728238 0.86 NPFFR1 (0.64) NPFFR1NPFFR2SIGMAR1CYP3A4CYP2D6
SCHEMBL2348786 0.86 NPFFR1 (0.64) NPFFR1NPFFR2SIGMAR1CYP2D6IDO1
SCHEMBL4502727 0.85 NPFFR1 (0.56) NPFFR1NPFFR2OPRK1SIGMAR1CYP3A4
SCHEMBL20572136 0.84 NPFFR1 (0.60) NPFFR1NPFFR2OPRK1CYP2D6
SCHEMBL22050090 0.84 NPFFR1 (0.62) NPFFR1NPFFR2SIGMAR1CYP2D6IDO1
SCHEMBL13320953 0.84 NPFFR1 (0.62) NPFFR1NPFFR2SIGMAR1
SCHEMBL31410763 0.83 NPFFR1 (0.54) NPFFR1NPFFR2SIGMAR1
SCHEMBL23070812 0.82 NPFFR1 (0.60) NPFFR1NPFFR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
EP-1061076-B1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-12-08 EP disclosed
EP-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 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-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 NPFFR1 3630/4885NPFFR2 3294/4885OPRK1 4032/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 NPFFR1 3374/4885NPFFR2 3113/4885OPRK1 4419/4885

“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.