SCHEMBL3763671

SCHEMBL3763671

COc1ccc2c(c1)C(=O)C1(CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.61
DRD2 P14416 4/20 0.61
HTR2A P28223 4/20 0.61
HTR2C P28335 4/20 0.61
HTR2B P41595 4/20 0.61
ACHE P22303 4/20 0.56
BACE1 P56817 1/20 0.52
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL31288605 1.00 SIGMAR1 (0.61) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL25391236 0.87 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL21855933 0.84 SIGMAR1 (0.58) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL29506031 0.84 SIGMAR1 (0.58) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL22770313 0.83 SIGMAR1 (0.60) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL29992977 0.83 SIGMAR1 (0.60) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL22493691 0.83 ACHE (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL31288612 0.83 ACHE (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL31288703 0.82 SIGMAR1 (0.78) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL1691155 0.82 SIGMAR1 (0.78) SIGMAR1DRD2HTR2AHTR2CHTR2B

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
EP-3601239-B1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2024-07-31 EP disclosed
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 US disclosed
US-11884664-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2024-01-30 US disclosed
US-11634417-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2023-04-25 US disclosed
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-08-11 US disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 US disclosed
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 US disclosed
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES LIGAND PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES LIGAND PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES LIGAND PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
WO-2009039431-A2 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES NEUROGEN CORPORATION (US) 2009-03-26 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 (8 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-11884664-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C SIGMAR1 4337/4885DRD2 4881/4885HTR2A 4539/4885
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C SIGMAR1 4337/4885DRD2 4881/4885HTR2A 4539/4885
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C SIGMAR1 4337/4885DRD2 4881/4885HTR2A 4539/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 SIGMAR1 4280/4885DRD2 4846/4885HTR2A 4068/4885
US-11634417-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C SIGMAR1 4337/4885DRD2 4881/4885HTR2A 4539/4885
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES HRH3, HRH4, HRH2 SIGMAR1 178/4885DRD2 807/4885HTR2A 203/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ SIGMAR1 4287/4885DRD2 4818/4885HTR2A 3938/4885
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C SIGMAR1 4337/4885DRD2 4881/4885HTR2A 4539/4885

“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.