SCHEMBL4082038

SCHEMBL4082038

CC(C)CCCOS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
USP2 O75604 2/20 0.64
TSHR P16473 2/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MMP9 P14780 1/20 0.64
ALOX15 P16050 1/20 0.64
CA1 P00915 13/20 0.33
CA2 P00918 13/20 0.33
CA9 Q16790 12/20 0.33
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32

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
SCHEMBL6484412 0.93 LMNA (0.68) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL29492180 0.91 LMNA (0.65) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL3084957 0.91 LMNA (0.65) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL18419074 0.91 LMNA (0.65) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL8860696 0.91 LMNA (0.65) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL12354861 0.91 LMNA (0.65) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL11400795 0.91 LMNA (0.65) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL3706344 0.85 ALDH1A1 (0.55) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL2244993 0.84 TSHR (0.56) ALDH1A1USP2TSHRLMNAKDM4E
SCHEMBL8341011 0.83 LMNA (0.40) ALDH1A1USP2TSHRLMNAKDM4E

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4402139-A1 FUSED HETEROCYCLIC RINGS AS RIPK1 INHIBITORS Bisichem Co., Ltd. (KR) 2024-07-24 EP disclosed
WO-2024144149-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2024-07-04 WO disclosed
CN-118284604-A Fused heterocycles as RIPK1 inhibitors 比西切姆有限公司 2024-07-02 CN disclosed
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-23 US disclosed
US-20240083892-A1 FUSED HETEROCYCLIC RINGS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2024-03-14 US disclosed
CN-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 CN disclosed
EP-4305019-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME Gilgamesh Pharmaceuticals, Inc. (US) 2024-01-17 EP disclosed
EP-4186897-A1 PYRIDINECARBOXAMIDE COMPOUND USEFUL AS PIM KINASE INHIBITOR Incyte Holdings Corporation (US) 2023-05-31 EP disclosed
WO-2023043284-A1 FUSED HETEROCYCLIC RINGS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2023-03-23 WO disclosed
WO-2022192781-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2022-09-15 WO disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
US-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 US disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US disclosed
US-4476131-A ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1984-10-09 US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 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-20240083892-A1 FUSED HETEROCYCLIC RINGS AS RIPK1 INHIBITORS RIPK1, RIPK3, RIPK4 ALDH1A1 4608/4885USP2 2190/4885TSHR 4186/4885
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME PNMT, HTR6, HTR2C ALDH1A1 1077/4885USP2 2153/4885TSHR 3645/4885
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ALDH1A1 1292/4885USP2 1762/4885TSHR 411/4885

“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.