SCHEMBL484393

SCHEMBL484393

CCn1cc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cccc(Cl)c2Cl)CC4)C3)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
BDKRB1 P46663 3/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
MGLL Q99685 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PDE10A Q9Y233 1/20 0.33
KLKB1 P03952 1/20 0.33
ACKR3 P25106 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL484777 0.96 TDP1 (0.38) TDP1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL484299 0.95 TAS1R3 (0.37) TDP1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL2818970 0.91 KMT2A (0.38) TDP1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL485130 0.90 KMT2A (0.37) TDP1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL484604 0.87 ALPI (0.40) KMT2ATAS1R3TAS1R1TAS1R2MEN1
SCHEMBL484426 0.85 CYP2C9 (0.38) SMN1; SMN2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484832 0.84 ACHE (0.42) TDP1SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL486177 0.83 CRHR1 (0.45) SMN1; SMN2ALDH1A1
SCHEMBL484857 0.83 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1PDE10A
SCHEMBL484780 0.83 CYP2D6 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1MAPK1

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 10 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 TDP1 2531/4885KMT2A 2136/4885SMN1; SMN2 3545/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TDP1 2531/4885KMT2A 2136/4885SMN1; SMN2 3545/4885

“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.