SCHEMBL172662

SCHEMBL172662

CC(C)CNC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
HTT P42858 2/20 0.52
EPHX1 P07099 1/20 0.50
ANPEP P15144 2/20 0.45
ERAP2 Q6P179 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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 SCHEMBL20379764 0.97 KDM4E (0.56) KDM4EHTTEPHX1ANPEPERAP2
SCHEMBL1043149 0.97 KDM4E (0.62) KDM4EHTTEPHX1ANPEPERAP2
SCHEMBL7775213 0.97 KDM4E (0.62) KDM4EHTTEPHX1ANPEPERAP2
SCHEMBL7775092 0.97 KDM4E (0.62) KDM4EHTTEPHX1ANPEPERAP2
SCHEMBL6986244 0.94
SCHEMBL4919308 0.88
Hydrochloric Acid SCHEMBL2656164 0.86
SCHEMBL9407491 0.84 KDM4E (0.60) KDM4EHTTEPHX1ANPEPERAP2
SCHEMBL10778286 0.82 KDM4E (0.64) KDM4EHTTEPHX1ANPEPERAP2
SCHEMBL22260241 0.82 KDM4E (0.64) KDM4EHTTEPHX1ANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
EP-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP disclosed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP disclosed
EP-3724251-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-22 EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP 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 (2 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-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT KDM4E 3620/4885HTT 1029/4885EPHX1 3475/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT KDM4E 107/4885HTT 2970/4885EPHX1 2402/4885

“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.