SCHEMBL9948619

SCHEMBL9948619

Cc1cc(C#N)nc(N2CCC3(CC2)NCCN(Cc2nc(C)oc2-c2ccccc2)C3=O)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.46
HCRTR2 O43614 11/20 0.46
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
UBE2N P61088 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
SCHEMBL9949086 0.93 HCRTR1 (0.51) HCRTR1HCRTR2KDM4EALDH1A1SLC6A2
SCHEMBL9948567 0.92 HCRTR1 (0.41) HCRTR1HCRTR2KMT2AATMKDM4E
SCHEMBL9948691 0.91 HCRTR1 (0.39) HCRTR1HCRTR2KMT2AATMKDM4E
SCHEMBL12700467 0.89 HCRTR1 (0.46) HCRTR1HCRTR2KDM4EALDH1A1SLC6A2
SCHEMBL9949879 0.88 HCRTR1 (0.45) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL9949174 0.86 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EALDH1A1EGLN1
SCHEMBL9949233 0.84 HCRTR1 (0.46) HCRTR1HCRTR2KMT2AKDM4ESMN1; SMN2
SCHEMBL9949015 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL9949771 0.81 SLC6A2 (0.43) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL12700480 0.81 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2

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 607/4885KMT2A 1555/4885

“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.