SCHEMBL319228

SCHEMBL319228

O=C(C1CCCNC1)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.55
SLC6A1 P30531 2/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 2/20 0.55
SLC6A11 P48066 1/20 0.55
SLC6A13 Q9NSD5 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
NOS2 P35228 1/20 0.44
CA2 P00918 1/20 0.42

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
SCHEMBL20811833 0.98 SLC6A1 (0.57) HPGDSMN1; SMN2SLC6A1TSHRLMNA
SCHEMBL16584420 0.98 SLC6A1 (0.57) HPGDSMN1; SMN2SLC6A1TSHRLMNA
SCHEMBL2655363 0.98 SLC6A1 (0.57) HPGDSMN1; SMN2SLC6A1TSHRLMNA
Hydrochloric Acid SCHEMBL16584136 0.96 SLC6A1 (0.55) HPGDSMN1; SMN2SLC6A1TSHRLMNA
Hydrochloric Acid SCHEMBL15321278 0.96 SLC6A1 (0.55) HPGDSMN1; SMN2SLC6A1TSHRLMNA
SCHEMBL9763185 0.92 SLC6A1 (0.59) HPGDSMN1; SMN2SLC6A1TSHRLMNA
Bromide SCHEMBL9763700 0.91 SLC6A1 (0.57) HPGDSMN1; SMN2SLC6A1TSHRLMNA
SCHEMBL18390874 0.89 CHRNB2 (0.66) HPGDSMN1; SMN2SLC6A1TSHRLMNA
SCHEMBL2146125 0.89 HPGD (0.57) HPGDSMN1; SMN2SLC6A1TSHRLMNA
SCHEMBL2146130 0.89 HPGD (0.57) HPGDSMN1; SMN2SLC6A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-20150307712-A1 ASPHALT COMPOSITION SHELL OIL COMPANY 2015-10-29 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
WO-2014206986-A1 PROCESS FOR THE MANUFACTURE OF AN ASPHALT COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-12-31 WO disclosed
EP-2788431-A1 ASPHALT COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2014-10-15 EP disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
US-20140154009-A1 ASPHALT COMPOSITION SHELL OIL COMPANY 2014-06-05 US disclosed
WO-2014001384-A1 ASPHALT COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-01-03 WO disclosed
WO-2013083807-A1 ASPHALT COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2013-06-13 WO disclosed
WO-2012160116-A1 ASPHALT COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2012-11-29 WO disclosed
WO-2012004199-A1 BITUMINOUS COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2012-01-12 WO disclosed
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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 (4 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 HPGD 1046/4885SMN1; SMN2 3960/4885SLC6A1 4377/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 HPGD 640/4885SMN1; SMN2 3595/4885SLC6A1 4057/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 HPGD 1046/4885SMN1; SMN2 3960/4885SLC6A1 4377/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 HPGD 731/4885SMN1; SMN2 3915/4885SLC6A1 4181/4885

“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.