SCHEMBL484723

SCHEMBL484723

N#Cc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.38
USP2 O75604 7/20 0.34
CYP2D6 P10635 4/20 0.34
CYP3A4 P08684 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CCR8 P51685 2/20 0.34
KCNH2 Q12809 2/20 0.34
TSHR P16473 3/20 0.34
CYP1A2 P05177 3/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CXCR3 P49682 1/20 0.33
SSTR5 P35346 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
SCHEMBL484922 0.92 AR (0.40) ARUSP2CYP2D6CYP3A4CCR8
SCHEMBL484643 0.90 CYP3A4 (0.46) USP2CYP2D6CYP3A4SMN1; SMN2TSHR
SCHEMBL484581 0.88 CYP3A4 (0.41) USP2CYP2D6CYP3A4SMN1; SMN2CCR8
SCHEMBL2816549 0.87 CYP2D6 (0.39) USP2CYP2D6CYP3A4SMN1; SMN2TSHR
SCHEMBL485953 0.86 ATM (0.39) AR
SCHEMBL484397 0.86 CYP2D6 (0.39) USP2CYP2D6CYP3A4SMN1; SMN2CCR8
SCHEMBL485288 0.86 CYP2D6 (0.40) USP2CYP2D6CYP3A4SMN1; SMN2CCR8
SCHEMBL484872 0.86 CYP2D6 (0.39) USP2CYP2D6CYP3A4CCR8KCNH2
SCHEMBL2820483 0.85 CYP2D6 (0.38) USP2CYP2D6CYP3A4SMN1; SMN2TSHR
SCHEMBL484769 0.84 CYP2D6 (0.36) ARUSP2CYP2D6CYP3A4SMN1; SMN2

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 AR 219/4885USP2 4864/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN AR 219/4885USP2 4864/4885CYP2D6 1926/4885

“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.