SCHEMBL2113741

SCHEMBL2113741

CN(CCN1CCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1nc(-c3cnn(C)c3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.59
IRAK1 P51617 1/20 0.36
FGFR1 P11362 3/20 0.35
FGFR2 P21802 3/20 0.35
FGFR4 P22455 3/20 0.35
FGFR3 P22607 3/20 0.35
KDR P35968 3/20 0.35
BUB1 O43683 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY5R Q15761 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL2112600 0.99 HRH3 (0.61) HRH3IRAK1FGFR1FGFR2FGFR4
SCHEMBL481185 0.90 HRH3 (0.66) HRH3BUB1LMNAMAPK1NPY5R
SCHEMBL2112767 0.89 HRH3 (0.67) HRH3BUB1LMNAMAPK1NPY5R
SCHEMBL2113308 0.89 HRH3 (0.62) HRH3BUB1LMNAMAPK1
SCHEMBL2111126 0.89 HRH3 (0.59) HRH3BUB1NPY5R
SCHEMBL2113296 0.88 HRH3 (0.61) HRH3BUB1LMNAMAPK1NPY5R
SCHEMBL2111151 0.87 HRH3 (0.62) HRH3LMNAMAPK1NPY5R
SCHEMBL2112076 0.86 HRH3 (0.59) HRH3NPY5R
SCHEMBL13675015 0.86 HRH3 (0.58) HRH3LMNAMAPK1NPY5R
SCHEMBL2112470 0.85 HRH3 (0.60) HRH3NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A HRH3 2984/4885IRAK1 582/4885FGFR1 4164/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A HRH3 2984/4885IRAK1 582/4885FGFR1 4164/4885

“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.