SCHEMBL223917

SCHEMBL223917

CN1CCC(Oc2ccc(C=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP2A6 P11509 1/20 0.44
MAPT P10636 1/20 0.43
PTPN1 P18031 1/20 0.42
HRH1 P35367 1/20 0.41
CHEK2 O96017 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
SCHEMBL4139903 0.94 HRH3 (0.52) HRH3SMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL26819652 0.84 KDM1A (0.47) HRH3SMN1; SMN2ALDH1A1MAOAMAOB
SCHEMBL833489 0.84 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4ECYP2A6PTPN1
SCHEMBL22708340 0.83 HRH3 (0.58) HRH3SMN1; SMN2MAOAMAOBMAPT
SCHEMBL11912880 0.83 ALDH1A1 (0.47) HRH3SMN1; SMN2ALDH1A1KDM4ECYP2A6
SCHEMBL4129194 0.83 HTT (0.49) HRH3SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15119426 0.83 ALDH1A1 (0.50) HRH3SMN1; SMN2ALDH1A1KDM4ECYP2A6
SCHEMBL5207844 0.83 HRH3 (0.61) HRH3
SCHEMBL3636729 0.82 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ECYP2A6PTPN1
SCHEMBL2000967 0.82 HRH3 (0.52) HRH3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568690-A1 The use of carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones as sodium channel blockers Euro-Celtique S.A. (LU) 2005-08-31 EP claimed
EP-0986540-B1 THE USE OF CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AS SODIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2005-02-16 EP claimed
US-6696442-B2 THERAPY OF DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS IN A MAMMAL SUFFERING THEREFROM BY ADMINISTERING CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES, WHICH ACT AS BLOCKERS OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2004-02-24 US claimed
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof EURO-CELTIQUES S.A. 2003-12-04 US claimed
US-6613803-B1 Treating, preventing or ameliorating pain EURO-CELTIQUE S.A. (LU) 2003-09-02 US claimed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 US claimed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 US claimed
JP-2001526648-A 2001-12-18 JP claimed
EP-0986540-A4 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS INC (US) 2001-07-11 EP claimed
EP-0986540-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-03-22 EP claimed
WO-1998047869-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS, INC. (US) 1998-10-29 WO claimed
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO disclosed
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP disclosed
US-9238656-B2 Imidazo[4,5-b]pyridine derivatives as ALK and JAK modulators for the treatment of proliferative disorders CEPHALON, INC. (US) 2016-01-19 US disclosed
EP-2809671-B1 IMIDAZO [4, 5 - B]PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON INC (US) 2016-01-13 EP disclosed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 US disclosed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 US disclosed
EP-0986540-A4 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS INC (US) 2001-07-11 EP disclosed
EP-0986540-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-03-22 EP disclosed
WO-1998047869-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS, INC. (US) 1998-10-29 WO 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-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 HRH3 240/4885SMN1; SMN2 87/4885ALDH1A1 91/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 HRH3 240/4885SMN1; SMN2 87/4885ALDH1A1 91/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 HRH3 167/4885SMN1; SMN2 78/4885ALDH1A1 97/4885

“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.