SCHEMBL9948684

SCHEMBL9948684

Cc1cc(C)nc(N2CCC3(CC2)NCCN(Cc2nn(C)nc2-c2ccc4c(c2)OCCO4)C3=O)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.54
HCRTR2 O43614 11/20 0.54
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIT P10721 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32
CCND1 P24385 1/20 0.32
CDK6 Q00534 1/20 0.32

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
SCHEMBL9949052 0.87 HCRTR1 (0.55) HCRTR1HCRTR2KDM4EMEN1KMT2A
SCHEMBL9948971 0.86 HCRTR1 (0.72) HCRTR1HCRTR2KDM4EMEN1KMT2A
SCHEMBL9949150 0.84 HCRTR1 (0.56) HCRTR1HCRTR2HTTKMT2A
SCHEMBL9948902 0.82 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL9948671 0.82 HCRTR1 (0.60) HCRTR1HCRTR2KDM4ESMN1; SMN2KMT2A
SCHEMBL9949601 0.82 HCRTR1 (0.53) HCRTR1HCRTR2KITKMT2A
SCHEMBL9948490 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9948858 0.81 HCRTR1 (0.56) HCRTR1HCRTR2KDM4EHTT
SCHEMBL9949007 0.79 HCRTR1 (0.54) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL9948984 0.74 HCRTR1 (0.72) HCRTR1HCRTR2KDM4EHTT

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.