SCHEMBL2816150

SCHEMBL2816150

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccc(C(F)(F)F)cn5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HCRTR1 O43613 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 3/20 0.41
NAMPT P43490 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL484410 0.92 HCRTR1 (0.42) ALDH1A1MEN1KMT2AHCRTR1SMN1; SMN2
SCHEMBL484724 0.89 CYP3A4 (0.43) ALDH1A1HCRTR1TSHRNAMPTCYP1A2
SCHEMBL484177 0.88 HSD17B10 (0.45) ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2D6
SCHEMBL485178 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHCRTR1SMN1; SMN2
SCHEMBL485067 0.85 ALDH1A1 (0.45) ALDH1A1KMT2A
SCHEMBL484980 0.85 CYP3A4 (0.48) ALDH1A1MEN1KMT2AHCRTR1SMN1; SMN2
SCHEMBL2816375 0.85 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL484531 0.85 MEN1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL484473 0.84 ALDH1A1 (0.46) ALDH1A1
SCHEMBL2817400 0.82 BDKRB1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR

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 2086/4885LMNA 1187/4885MEN1 901/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885LMNA 1187/4885MEN1 901/4885

“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.