SCHEMBL2240409

SCHEMBL2240409

Cc1ccccc1OCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
KCNH2 Q12809 2/20 0.53
HTR3A P46098 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
HTR1A P08908 1/20 0.49
PKM P14618 1/20 0.49
KHK P50053 1/20 0.48
RIPK1 Q13546 1/20 0.46
HTR2C P28335 2/20 0.46
KDM1A O60341 2/20 0.46
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
HTR4 Q13639 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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 SCHEMBL1474902 0.98 ALDH1A1 (0.54) ALDH1A1GLASLC6A2SLC6A4KCNH2
SCHEMBL1475413 0.90 SLC6A2 (0.55) ALDH1A1GLASLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL27158704 0.89 SLC6A2 (0.54) ALDH1A1GLASLC6A2SLC6A4KCNH2
SCHEMBL256797 0.88 ALDH1A1 (0.65) ALDH1A1GLATDP1PKMRIPK1
SCHEMBL10066572 0.88 ALDH1A1 (0.65) ALDH1A1GLATDP1PKMRIPK1
SCHEMBL24224814 0.84 ALDH1A1 (0.61) ALDH1A1GLATDP1PKMRIPK1
SCHEMBL13144644 0.84 AVPR2 (0.54) ALDH1A1GLASLC6A2SLC6A4TDP1
SCHEMBL791939 0.83 TDP1 (0.59) ALDH1A1SLC6A2SLC6A4KCNH2HTR3A
SCHEMBL28754655 0.83 SLC6A2 (0.55) ALDH1A1SLC6A2SLC6A4KCNH2HTR3A
SCHEMBL5673940 0.83 ALDH1A1 (0.59) ALDH1A1GLATDP1PKMRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP 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

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 ALDH1A1 2528/4885GLA 437/4885SLC6A2 4604/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 ALDH1A1 2250/4885GLA 328/4885SLC6A2 4545/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 ALDH1A1 2528/4885GLA 437/4885SLC6A2 4604/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 ALDH1A1 2075/4885GLA 324/4885SLC6A2 4632/4885

“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.