SCHEMBL2113296

SCHEMBL2113296

CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1nc(-c3cccnc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.61
KMT2A Q03164 1/20 0.40
NPY5R Q15761 5/20 0.40
BUB1 O43683 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2111126 0.99 HRH3 (0.59) HRH3KMT2ANPY5RBUB1
SCHEMBL2113308 0.93 HRH3 (0.62) HRH3BUB1LMNAMAPK1
SCHEMBL2112767 0.92 HRH3 (0.67) HRH3NPY5RBUB1LMNAMAPK1
SCHEMBL481185 0.91 HRH3 (0.66) HRH3NPY5RBUB1LMNAMAPK1
SCHEMBL480883 0.90 HRH3 (0.60) HRH3KMT2ANPY5RBUB1LMNA
SCHEMBL2112600 0.89 HRH3 (0.61) HRH3LMNAMAPK1
SCHEMBL2113741 0.88 HRH3 (0.59) HRH3NPY5RBUB1LMNAMAPK1
SCHEMBL2111151 0.88 HRH3 (0.62) HRH3NPY5RLMNAMAPK1
SCHEMBL13675015 0.87 HRH3 (0.58) HRH3NPY5RLMNAMAPK1
SCHEMBL2112470 0.86 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 15 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 claimed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US claimed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US claimed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP claimed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
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-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 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
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 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
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 2984/4885KMT2A 53/4885NPY5R 423/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A HRH3 2984/4885KMT2A 53/4885NPY5R 423/4885

“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.