SCHEMBL485461

SCHEMBL485461

FC(F)(F)c1ccc(N2CCC3(CCNC3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HDAC1 Q13547 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ABL1 P00519 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL484713 0.82 CYP2D6 (0.51) SMN1; SMN2KMT2AHPGDMEN1ALDH1A1
SCHEMBL17035908 0.80 ADRB1 (0.60) KDM4EABL1LMNASMN1; SMN2KMT2A
SCHEMBL30101389 0.80 ADRB1 (0.60) KDM4EABL1LMNASMN1; SMN2KMT2A
SCHEMBL231823 0.80 ADRB1 (0.60) KDM4EABL1LMNASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL30328867 0.80 KDM4E (0.43) KCNH2HDAC1KDM4EABL1LMNA
SCHEMBL13811463 0.80 HDAC1 (0.51) KCNH2HDAC1SMN1; SMN2KMT2AHPGD
SCHEMBL25145868 0.79 KDM4E (0.46) KDM4EABL1LMNASMN1; SMN2KMT2A
SCHEMBL30898347 0.79 KDM4E (0.46) KDM4EABL1LMNASMN1; SMN2KMT2A
SCHEMBL485117 0.79 CYP2D6 (0.51) SMN1; SMN2HPGDALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL9394896 0.79 ADRB1 (0.59) KDM4EABL1LMNASMN1; SMN2KMT2A

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 11 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 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
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
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
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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 KCNH2 257/4885HDAC1 554/4885KDM4E 2721/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KCNH2 257/4885HDAC1 554/4885KDM4E 2721/4885

“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.