SCHEMBL9948944

SCHEMBL9948944

COc1cccc(-c2sc(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C#N)n4)CC3)C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.41
HCRTR2 O43614 12/20 0.41
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
UBE2N P61088 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.37
MCHR1 Q99705 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
PTBP1 P26599 1/20 0.34

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
SCHEMBL9948813 0.93 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EKMT2ACES2
SCHEMBL9949369 0.90 HCRTR1 (0.43) HCRTR1HCRTR2CES2SLC6A2SLC6A4
SCHEMBL9948567 0.87 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1POLB
SCHEMBL9948791 0.86 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1POLB
SCHEMBL2137573 0.80 HCRTR2 (0.61) HCRTR1HCRTR2CES2
SCHEMBL9949233 0.80 HCRTR1 (0.46) HCRTR1HCRTR2KDM4EKMT2ACES2
SCHEMBL9948619 0.80 HCRTR1 (0.46) HCRTR1HCRTR2KDM4EALDH1A1POLB
SCHEMBL9948877 0.79 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EKMT2ACES2
SCHEMBL9948755 0.79 HCRTR1 (0.61) HCRTR1HCRTR2KDM4EALDH1A1KMT2A
SCHEMBL9948671 0.78 HCRTR1 (0.60) HCRTR1HCRTR2KDM4EALDH1A1KMT2A

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 607/4885KDM4E 4231/4885

“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.