SCHEMBL2820964

SCHEMBL2820964

O=C(N[C@H]1CCCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
BDKRB1 P46663 1/20 0.48
CYP2C9 P11712 9/20 0.48
CYP2C19 P33261 8/20 0.48
CYP3A4 P08684 9/20 0.48
CYP2D6 P10635 8/20 0.47
CYP1A2 P05177 7/20 0.47
TSHR P16473 4/20 0.47
HIF1A Q16665 3/20 0.47
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
TAS1R2 Q8TE23 3/20 0.45
USP2 O75604 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CTSS P25774 1/20 0.45
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 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
SCHEMBL2817691 1.00 ALDH1A1 (0.51) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL2818041 0.98 ALDH1A1 (0.48) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL2816543 0.95 ALDH1A1 (0.49) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL2818748 0.95 ALDH1A1 (0.49) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL2817192 0.95 ALDH1A1 (0.49) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL484204 0.95 BDKRB1 (0.49) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL2816181 0.95 ALDH1A1 (0.50) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL2817823 0.94 BDKRB1 (0.47) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL2820530 0.93 ALDH1A1 (0.49) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4
SCHEMBL484212 0.93 CYP3A4 (0.47) ALDH1A1BDKRB1CYP2C9CYP2C19CYP3A4

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010107941-A2 MEMBRANE SYSTEM WITH SUFFICIENT BUFFERING CAPACITY EDWARDS LIFESCIENCES CORPORATION (US) 2010-09-23 WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010051421-A2 ANALYTE SENSOR WITH NON-WORKING ELECTRODE LAYER EDWARDS LIFESCIENCES CORPORATION (US) 2010-05-06 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885BDKRB1 1/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885BDKRB1 1/4885CYP2C9 2259/4885

“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.