SCHEMBL21807007

SCHEMBL21807007

O=C(O)N1CCC[C@H]1COc1cccnc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA6 Q15825 1/20 0.44
ABHD6 Q9BV23 2/20 0.41
DAGLA Q9Y4D2 2/20 0.41

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
SCHEMBL27082727 1.00 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL27082606 0.94 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL27082607 0.94 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL27082603 0.88 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL7412041 0.84 ALOX5AP (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL21845257 0.84 ALOX5AP (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL29960520 0.84 ALOX5AP (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL2258523 0.78 ABHD6 (0.54) ABHD6DAGLA
SCHEMBL9101521 0.78 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL29007902 0.78 SSTR4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2024-07-18 US disclosed
EP-4313983-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2024-02-07 EP disclosed
US-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2023-06-01 US disclosed
US-11518772-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors NIKANG THERAPEUTICS, INC. (US) 2022-12-06 US disclosed
US-20210380604-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-12-09 US disclosed
EP-3853233-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS Nikang Therapeutics, Inc. (US) 2021-07-28 EP disclosed
EP-3853234-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS Nikang Therapeutics, Inc. (US) 2021-07-28 EP disclosed
US-20210188876-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-06-24 US disclosed
US-11034705-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors NIKANG THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210040122-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-02-11 US disclosed
US-10894797-B2 Fused tricyclic ring derivatives as SRC homology-2 phosphatase inhibitors NIKANG THERAPEUTICS, INC. (US) 2021-01-19 US disclosed
US-20200277308-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. 2020-09-03 US disclosed
US-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. 2020-04-16 US disclosed
WO-2020061101-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
WO-2020061103-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-03-26 WO 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 (10 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-20200277308-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS SRC, PTPRCAP, PTPRC CHRNB4 4618/4885CHRNA3 4677/4885CHRNB2 4207/4885
US-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC CHRNB4 4682/4885CHRNA3 4753/4885CHRNB2 4423/4885
US-10894797-B2 Fused tricyclic ring derivatives as SRC homology-2 phosphatase inhibitors SRC, PTPRCAP, PTPRC CHRNB4 4618/4885CHRNA3 4677/4885CHRNB2 4207/4885
US-11034705-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors SRC, PTPRCAP, PTPRC CHRNB4 4682/4885CHRNA3 4753/4885CHRNB2 4423/4885
US-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS SRC, PTPRCAP, PTPRC CHRNB4 4618/4885CHRNA3 4677/4885CHRNB2 4207/4885
US-20210380604-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPN2 CHRNB4 4653/4885CHRNA3 4689/4885CHRNB2 4170/4885
US-20210188876-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC CHRNB4 4682/4885CHRNA3 4753/4885CHRNB2 4423/4885
US-20210040122-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC CHRNB4 4682/4885CHRNA3 4753/4885CHRNB2 4423/4885
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER PTPN1, PTPN5, PTPRJ CHRNB4 4855/4885CHRNA3 4860/4885CHRNB2 4837/4885
US-11518772-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors SRC, PTPRCAP, PTPRC CHRNB4 4682/4885CHRNA3 4753/4885CHRNB2 4423/4885

“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.