SCHEMBL2590891

SCHEMBL2590891

CC(C)(CO)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
CYP2B6 P20813 1/20 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
Hydrochloric Acid SCHEMBL29120571 0.95 CYP1A2 (0.38) CYP1A2KMT2AMEN1NPC1CYP2B6
SCHEMBL14728652 0.82 CYP1A2 (0.37) CYP1A2KMT2A
SCHEMBL23277743 0.81 CYP1A2 (0.42) CYP1A2
SCHEMBL26003606 0.79 NPC1 (0.32) NPC1CYP2B6
SCHEMBL8267554 0.79 CYP1A2 (0.41) CYP1A2
SCHEMBL1394430 0.77 CYP1A2 (0.37) CYP1A2
SCHEMBL16975487 0.77 ALDH1A1 (0.41) CYP1A2KMT2AMEN1
SCHEMBL12630575 0.77 CYP1A2 (0.40) CYP1A2
SCHEMBL1088433 0.77 CYP1A2 (0.37) CYP1A2
SCHEMBL14725163 0.77 SIGMAR1 (0.41) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN claimed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
US-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-04-04 US disclosed
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed
CN-113493628-B Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2023-06-23 CN disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN disclosed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 US disclosed
EP-1442025-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2004-08-04 EP disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
US-5143935-A Gastrointestinal disorders TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-01 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-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CYP1A2 1323/4885KMT2A 4021/4885MEN1 4058/4885
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 CYP1A2 356/4885KMT2A 3945/4885MEN1 303/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CYP1A2 1422/4885KMT2A 3935/4885MEN1 4333/4885
US-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS PDGFRA, PDGFRB, ABL1 CYP1A2 1264/4885KMT2A 2278/4885MEN1 3001/4885

“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.