SCHEMBL9948567

SCHEMBL9948567

COc1cccc(-c2oc(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C#N)n4)CC3)C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.41
HCRTR2 O43614 9/20 0.41
MCHR1 Q99705 2/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
UBE2N P61088 1/20 0.37
CES2 O00748 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.34
PTBP1 P26599 1/20 0.34
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL9949233 0.93 HCRTR1 (0.46) HCRTR1HCRTR2MCHR1KDM4EKMT2A
SCHEMBL9948619 0.92 HCRTR1 (0.46) HCRTR1HCRTR2KDM4EKMT2AALDH1A1
SCHEMBL9949771 0.91 SLC6A2 (0.43) HCRTR1HCRTR2CES2SLC6A2SLC6A4
SCHEMBL9948691 0.90 HCRTR1 (0.39) HCRTR1HCRTR2MCHR1KDM4EKMT2A
SCHEMBL12700480 0.90 HCRTR1 (0.42) HCRTR1HCRTR2MCHR1KDM4EALDH1A1
SCHEMBL9948791 0.89 HCRTR1 (0.41) HCRTR1HCRTR2MCHR1KDM4EKMT2A
SCHEMBL9948690 0.88 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EKMT2AALDH1A1
SCHEMBL9948944 0.87 HCRTR1 (0.41) HCRTR1HCRTR2MCHR1KDM4EKMT2A
SCHEMBL9949086 0.85 HCRTR1 (0.51) HCRTR1HCRTR2KDM4EALDH1A1SLC6A2
SCHEMBL9949879 0.85 HCRTR1 (0.45) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO claimed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US claimed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 HCRTR1 593/4885HCRTR2 607/4885MCHR1 2069/4885

“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.