SCHEMBL5666205

SCHEMBL5666205

CCc1cccc(C2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
KMO O15229 1/20 0.49
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NAAA Q02083 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTR1A P08908 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP11B2 P19099 1/20 0.42
NFKB1 P19838 1/20 0.40
PRCP P42785 1/20 0.40
EBP Q15125 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL22805478 0.90 SIGMAR1 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4379176 0.84 DRD3 (0.67) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3680708 0.84 SIGMAR1 (0.43) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4483354 0.82 SIGMAR1 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4518387 0.82 HTR2C (0.62) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1365912 0.82 SIGMAR1 (0.42) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL7994687 0.82 DRD3 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5667650 0.82 KMO (0.64) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL669730 0.82 KMO (0.64) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL5666443 0.82 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP claimed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US claimed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO claimed
US-10787399-B2 Preparation and use of phenylstyrene EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-09-29 US disclosed
US-20180258011-A1 Preparation and Use of Phenylstyrene EXXONMOBIL CHEMICAL PATENTS INC. 2018-09-13 US disclosed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
EP-1250365-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS Basell Polypropylen GmbH (DE) 2002-10-23 EP disclosed
WO-2001048034-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 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 (5 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD DRD2 4464/4885DRD3 3691/4885DRD1 3873/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP DRD2 2509/4885DRD3 2769/4885DRD1 2178/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE DRD2 4700/4885DRD3 4563/4885DRD1 4391/4885
US-20180258011-A1 Preparation and Use of Phenylstyrene HPD, P4HB, PAH DRD2 1725/4885DRD3 1768/4885DRD1 1067/4885
US-10787399-B2 Preparation and use of phenylstyrene HPD, P4HB, PAH DRD2 1725/4885DRD3 1768/4885DRD1 1067/4885

“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.