SCHEMBL2820765

SCHEMBL2820765

O=C(NC1CCCCc2ccc(C(=O)N3CCC4(CC3)CCN(c3cccnc3)CC4)cc21)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 2/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
BDKRB1 P46663 1/20 0.41
CTSS P25774 1/20 0.41
CYP3A4 P08684 5/20 0.39
CYP1A2 P05177 3/20 0.39
USP2 O75604 3/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
NAMPT P43490 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
CHRM2 P08172 1/20 0.38
SPTLC2 O15270 1/20 0.37

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
SCHEMBL484320 0.95 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3
SCHEMBL2818041 0.92 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3
SCHEMBL13131315 0.90 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3
SCHEMBL484447 0.90 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3
SCHEMBL2817691 0.89 ALDH1A1 (0.51) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3
SCHEMBL2820964 0.89 ALDH1A1 (0.51) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3
SCHEMBL484272 0.87 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3
SCHEMBL484212 0.87 CYP3A4 (0.47) ALDH1A1TSHRCYP2C9CYP2C19BDKRB1
SCHEMBL2816589 0.87 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9TAS1R3TAS1R1
SCHEMBL484204 0.86 BDKRB1 (0.49) ALDH1A1TSHRCYP2C9CYP2C19TAS1R3

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 6 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
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-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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 2086/4885TSHR 338/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TSHR 338/4885CYP2C9 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.