SCHEMBL3752156

SCHEMBL3752156

CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
GPR119 Q8TDV5 2/20 0.45
PDK2 Q15119 1/20 0.44
USP30 Q70CQ3 1/20 0.43
NAE1 Q13564 1/20 0.43
UBA3 Q8TBC4 1/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MCHR2 Q969V1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
IDO1 P14902 1/20 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
SCHEMBL31096660 1.00 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL6394296 0.88 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL7631339 0.87 KDM1A (0.51) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL3292827 0.87 KDM1A (0.51) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL12084783 0.87 KDM1A (0.51) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL3292821 0.87 KDM1A (0.51) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL31758782 0.86 IDO1 (0.42) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL5313407 0.86 HSD11B1 (0.55) KDM1AHDAC1HDAC8HDAC6GPR119
SCHEMBL1222691 0.86 HSD11B1 (0.55) KDM1AHDAC1HDAC8HDAC6GPR119
Hydrochloric Acid SCHEMBL7629295 0.86 KDM1A (0.50) KDM1AHDAC1HDAC8HDAC6GPR119

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
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2025-07-10 US disclosed
EP-3601239-B1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2024-07-31 EP disclosed
EP-3985007-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-04-20 EP 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
WO-2020249109-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2020-12-17 WO 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-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
WO-2009061681-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2009-05-14 WO disclosed
EP-2033644-A1 Spiroindene and spiroindane compounds EURO-CELTIQUE S.A. (LU) 2009-03-11 EP disclosed
EP-1057827-B1 SPIROPIPERIDINE DERIVATIVES SANKYO CO (JP) 2003-09-10 EP disclosed
US-6511975-B1 Exhibit antagonistic action against tachykinin receptors SANKYO COMPANY, LIMITED (JP) 2003-01-28 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 (4 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-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ KDM1A 833/4885HDAC1 873/4885HDAC8 1631/4885
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 KDM1A 4747/4885HDAC1 2392/4885HDAC8 1687/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 KDM1A 1048/4885HDAC1 933/4885HDAC8 1519/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ KDM1A 833/4885HDAC1 873/4885HDAC8 1631/4885

“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.