SCHEMBL13168260

SCHEMBL13168260

CCN1CCC2(CCN(c3ccc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ CXCR3 P49682 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ GRM2 Q14416 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ ADAM10 O14672 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44

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
SCHEMBL13168167 0.83 CYP2C9 (0.39) SMN1; SMN2HPGDKMT2ACXCR3MEN1
SCHEMBL14996519 0.83 MAPT (0.49) SMN1; SMN2HPGDKMT2AMAPTKDM4E
SCHEMBL12668912 0.83 SMN1; SMN2 (0.62) SMN1; SMN2HPGDKMT2AMAPTKDM4E
SCHEMBL13131034 0.81 MAPT (0.48) SMN1; SMN2HPGDKMT2AMAPTKDM4E
SCHEMBL11955829 0.80 CA12 (0.43) SMN1; SMN2MAPTKDM4EGAADRD4
SCHEMBL485221 0.77 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKMT2AMAPTKDM4E
SCHEMBL13168259 0.77 HRH3 (0.40) KDM4EGRM2ALDH1A1CYP1A2CYP2C19
SCHEMBL648751 0.76 KDM4E (0.54) SMN1; SMN2HPGDKMT2AMAPTKDM4E
SCHEMBL13168160 0.75 HSD17B10 (0.57) SMN1; SMN2HPGDKMT2AMAPTKDM4E
SCHEMBL485461 0.74 KCNH2 (0.48) SMN1; SMN2HPGDKMT2AMAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SMN1; SMN2 3545/4885HPGD 386/4885KMT2A 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.

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