SCHEMBL2045801

SCHEMBL2045801

c1ccc(C[C]2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.55
LTA4H P09960 6/20 0.43
POLB P06746 1/20 0.42
IDH1 O75874 1/20 0.41
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
LMNA P02545 1/20 0.40
HRH1 P35367 1/20 0.40
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL6586984 0.97 CALM1 (0.52) CALM1LTA4HPOLBIDH1PLA2G10
SCHEMBL2051544 0.97 CALM1 (0.52) CALM1LTA4HPOLBIDH1PLA2G10
SCHEMBL1829180 0.97 CALM1 (0.52) CALM1LTA4HPOLBIDH1PLA2G10
SCHEMBL1829354 0.95 CALM1 (0.55) CALM1LTA4H
SCHEMBL2973782 0.89 CALM1 (0.61) CALM1LTA4HIDH1LMNA
SCHEMBL10822020 0.80 CALM1 (0.50) CALM1LTA4HIDH1LMNA
SCHEMBL6604926 0.78 HTR2C (0.50) CALM1LMNAHRH1
SCHEMBL28384985 0.78 GBA1 (0.50)
Diphenylmethane SCHEMBL28085719 0.77 CALM1 (0.80) CALM1LTA4HIDH1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL28072604 0.77 CALM1 (0.80) CALM1LTA4HIDH1PLA2G10PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903091-A Aromatic amine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-04-19 CN claimed
WO-2024061366-A1 SMALL MOLECULE COMPOUND HAVING PHOSPHORYLATED ARYL STRUCTURE, AND USE THEREOF 杭州天玑济世生物科技有限公司 2024-03-28 WO claimed
CN-117750798-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-03-22 CN claimed
CN-117651433-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-03-05 CN claimed
CN-117603249-A Triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-02-27 CN claimed
CN-113423709-B Triazinone imidazole compound and medical application thereof 四川科伦博泰生物医药股份有限公司 2024-02-09 CN claimed
CN-117377338-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-01-09 CN claimed
CN-117209524-A Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-12-12 CN claimed
CN-117126190-A Triarylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-11-28 CN claimed
CN-117105795-A Aromatic amine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-11-24 CN claimed
CN-116082322-A Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-05-09 CN claimed
CN-116063261-A Triamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-05-05 CN claimed
CN-113423709-A Triazinoneimidazoles and their use in medicine 四川科伦博泰生物医药股份有限公司 2021-09-21 CN claimed
WO-2020207352-A1 TRIAZINE BENZIMIDAZOLE COMPOUNDS AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-10-15 WO claimed
CN-103860538-A Lead compound of targeted human La protein and use of lead compound in preparation of medicine for preventing hepatitis B virus SHANGHAI 1ST PEOPLES HOSPITAL 2014-06-18 CN claimed
CN-102690262-A Lead compound of targeted human La protein and application thereof in preparation of anti-hepatitis B virus medicine SHANGHAI 1ST PEOPLES HOSPITAL 2012-09-26 CN claimed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US claimed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US claimed
US-4211867-A ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-08 US claimed
US-4061746-A Lactamimide inhibitors of gastrointestinal hypersecretion RICHARDSON-MERRELL INC. (US) 1977-12-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE CALM1 2917/4885LTA4H 195/4885POLB 2328/4885

“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.