SCHEMBL142180

SCHEMBL142180

O=C(CN1CCCCC1)CN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.54
POLB P06746 3/20 0.54
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
RAD52 P43351 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 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
Hydrochloric Acid SCHEMBL11699100 0.97 GAA (0.58) GAAALDH1A1MAPTPOLBHTT
SCHEMBL17092622 0.97 GAA (0.56) GAAALDH1A1MAPTPOLBHTT
SCHEMBL10892602 0.94 GAA (0.54) GAAALDH1A1MAPTPOLBHTT
SCHEMBL6039586 0.87 GAA (0.54) GAAALDH1A1MAPTPOLBHTT
SCHEMBL16935758 0.85 GAA (0.52) GAAALDH1A1MAPTPOLBHTT
SCHEMBL9979988 0.85 GAA (0.52) GAAALDH1A1MAPTPOLBHTT
SCHEMBL6220719 0.85 GAA (0.52) GAAALDH1A1MAPTPOLBHTT
SCHEMBL4367538 0.83 GAA (0.50) GAAALDH1A1MAPTPOLBHTT
SCHEMBL4367541 0.83 GAA (0.50) GAAALDH1A1MAPTPOLBHTT
SCHEMBL6039364 0.83 ALDH1A1 (0.50) GAAALDH1A1MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105887-A Aminopyrimidine derivative and preparation method and application thereof 沈阳药科大学 2022-03-01 CN claimed
US-4064255-A ANTIDEPRESSANTS MAR-PHA SOCIETE D'ETUDES ET D'EXPLOITATION DE MARQUES (FR) 1977-12-20 US claimed
CN-114105887-A Aminopyrimidine derivative and preparation method and application thereof 沈阳药科大学 2022-03-01 CN disclosed
CN-101355876-B Composition suitable for ophthalmic administration COMBINATORX INC 2012-09-05 CN disclosed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
CN-101355876-A Methods, compositions and kits for treating medical conditions COMBINATORX INC (US) 2009-01-28 CN disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO disclosed
WO-2005027839-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-18 US disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-04 US disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 WO disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 WO disclosed
US-4064255-A ANTIDEPRESSANTS MAR-PHA SOCIETE D'ETUDES ET D'EXPLOITATION DE MARQUES (FR) 1977-12-20 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 (6 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-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 GAA 1901/4885ALDH1A1 2701/4885MAPT 2847/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 GAA 1162/4885ALDH1A1 669/4885MAPT 1449/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 GAA 1162/4885ALDH1A1 669/4885MAPT 1449/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 GAA 616/4885ALDH1A1 2248/4885MAPT 2065/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP GAA 842/4885ALDH1A1 1014/4885MAPT 1899/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP GAA 842/4885ALDH1A1 1014/4885MAPT 1899/4885

“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.