SCHEMBL2816375

SCHEMBL2816375

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccnc(C(F)(F)F)c5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 8/20 0.37
CYP3A4 P08684 8/20 0.37
CYP2D6 P10635 4/20 0.37
HIF1A Q16665 4/20 0.37
CYP1A2 P05177 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
AR P10275 1/20 0.37
RIPK1 Q13546 2/20 0.36
SPTLC2 O15270 1/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSS P25774 1/20 0.36
WDR5 P61964 1/20 0.35

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
SCHEMBL484909 0.89 WDR5 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2AR
SCHEMBL2817400 0.88 BDKRB1 (0.45) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL484199 0.88 BDKRB1 (0.45) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL2815777 0.88 BDKRB1 (0.45) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL484724 0.88 CYP3A4 (0.43) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL485178 0.87 ALDH1A1 (0.38) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL484531 0.86 MEN1 (0.50) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL484410 0.86 HCRTR1 (0.42) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL2816161 0.85 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4CYP2D6HIF1A
SCHEMBL2820727 0.85 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2AR

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 12 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-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

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 338/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TSHR 338/4885CYP3A4 3781/4885

“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.