SCHEMBL3254368

SCHEMBL3254368

C=CCN1CCCC(c2csc(N)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR2A P28223 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10698716 0.85 MAPT (0.44) LMNADRD2DRD3MAPTSMN1; SMN2
SCHEMBL9836780 0.80 LMNA (0.49) LMNADRD2DRD3
SCHEMBL9834554 0.80 LMNA (0.49) LMNADRD2DRD3
SCHEMBL9834088 0.80 LMNA (0.49) LMNADRD2DRD3
SCHEMBL10698993 0.80 ALDH1A1 (0.46) LMNASMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL10698984 0.80 ALDH1A1 (0.46) LMNASMN1; SMN2KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL9836442 0.79 LMNA (0.48) LMNADRD2DRD3
SCHEMBL23730026 0.76 RAB9A (0.46) LMNAMAPTSMN1; SMN2TDP1RAB9A
SCHEMBL2657694 0.74 RAB9A (0.41) LMNAMAPTSMN1; SMN2TDP1RAB9A
SCHEMBL10762717 0.74 HSD17B10 (0.42) LMNADRD2DRD3MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776833-B2 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems Zhilov, Valery Khazhmuratovich (RU) 2010-08-17 US disclosed
EP-2074998-A2 Use of cyclic bioisosteres of purine system derivatives for the treatment of diseases caused by disorders of nitrergic and dopaminergic systems Zhilov, Valery Khazhmuratovich (RU) 2009-07-01 EP disclosed
EP-1655028-B1 USE OF CYCLIC BIOISOSTERES OF PURINE SYSTEM DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY DISORDERS OF NITRERGIC AND DOPAMINERGIC SYSTEMS ZHILOV VALERY KHAZHMURATOVICH (RU) 2009-05-13 EP disclosed
US-20070135636-A1 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems VALERY KHAZHMURATOVICH ZHILOV (RU) 2007-06-14 US disclosed
EP-1655028-A2 USE OF CYCLIC BIOISOSTERES OF PURINE SYSTEM DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY DISORDERS OF NITRERGIC AND DOPAMINERGIC SYSTEMS Zhilov, Valery Khazhmuratovich (RU) 2006-05-10 EP disclosed
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US disclosed
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US disclosed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP disclosed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP disclosed
US-4650805-A 4-(1,2,5,6-Tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines having anti-psychotic activity WARNER-LAMBERT COMPANY (US) 1987-03-17 US disclosed
US-4650805-A 4-(1,2,5,6-Tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines having anti-psychotic activity WARNER-LAMBERT COMPANY (US) 1987-03-17 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 (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-20070135636-A1 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems ADORA2A, ADORA3, ADORA1 LMNA 3490/4885DRD2 47/4885DRD3 50/4885

“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.