SCHEMBL4493648

SCHEMBL4493648

O=C(CN1CCN(CC(O)c2ccccc2)CC1)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
HTT P42858 1/20 0.47
METAP2 P50579 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL4493117 0.90 P2RX7 (0.48) KDM4EALDH1A1MEN1KMT2ACACNA2D1
SCHEMBL4501436 0.81 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4865875 0.80 MEN1 (0.49) HPGDKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4861739 0.80 CYP2D6 (0.58) HPGDKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3827757 0.79 MEN1 (0.63) HPGDKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3831399 0.79 MEN1 (0.48) HPGDKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4507273 0.78 MEN1 (0.60) HPGDKDM4EALDH1A1HTTMEN1
SCHEMBL4511466 0.76 MEN1 (0.54) HPGDKDM4EALDH1A1HTTMEN1
SCHEMBL4498472 0.76 MEN1 (0.54) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL4502773 0.76 MEN1 (0.55) HPGDKDM4EALDH1A1HTTMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
EP-1578737-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-09-28 EP disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004063180-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2004-07-29 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 (3 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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A HPGD 219/4885KDM4E 3425/4885ALDH1A1 215/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A HPGD 224/4885KDM4E 2949/4885ALDH1A1 281/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A HPGD 224/4885KDM4E 2949/4885ALDH1A1 281/4885

“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.