SCHEMBL2816567

SCHEMBL2816567

O=C(NCC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(F)cc3)CC4)cc21)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.44
USP2 O75604 6/20 0.44
KMT2A Q03164 5/20 0.44
CYP1A2 P05177 4/20 0.44
MEN1 O00255 4/20 0.44
TSHR P16473 4/20 0.44
CYP2D6 P10635 4/20 0.44
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 3/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MAPK1 P28482 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BDKRB1 P46663 2/20 0.38

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
SCHEMBL484528 0.91 BDKRB1 (0.48) CYP3A4USP2CYP1A2TSHRCYP2D6
SCHEMBL485180 0.88 KMT2A (0.41) KMT2ACYP2D6HSD11B1ALDH1A1MAPK1
SCHEMBL484873 0.87 CYP2C9 (0.41) CYP3A4USP2KMT2ACYP1A2MEN1
SCHEMBL2816807 0.87 CYP3A4 (0.46) CYP3A4USP2KMT2ACYP1A2MEN1
SCHEMBL484260 0.86 ITGB3 (0.46) CYP3A4USP2KMT2ACYP1A2MEN1
SCHEMBL484297 0.86 BDKRB1 (0.43) CYP3A4USP2CYP1A2TSHRCYP2D6
SCHEMBL2816589 0.83 ALDH1A1 (0.48) CYP3A4USP2KMT2ACYP1A2MEN1
SCHEMBL484530 0.82 CYP3A4 (0.51) CYP3A4USP2KMT2ACYP1A2MEN1
SCHEMBL2816161 0.82 ALDH1A1 (0.42) CYP3A4USP2KMT2ACYP1A2MEN1
SCHEMBL2817977 0.82 NAMPT (0.44) KMT2AALDH1A1SMN1; SMN2LMNA

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 CYP3A4 3781/4885USP2 4864/4885KMT2A 2136/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885USP2 4864/4885KMT2A 2136/4885

“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.