SCHEMBL9949033

SCHEMBL9949033

Cc1cc(C)nc(N2CCC3(CC2)NCCN(Cc2nn(C)cc2-c2ccc(C#N)cc2)C3=O)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.59
HCRTR2 O43614 11/20 0.59
HTR1A P08908 2/20 0.35
LMNA P02545 1/20 0.34
GRM2 Q14416 1/20 0.33
KDM1A O60341 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CTSK P43235 1/20 0.32
CREBBP Q92793 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
SCHEMBL9949134 0.91 HCRTR1 (0.59) HCRTR1HCRTR2HTR1AHRH4
SCHEMBL12700481 0.90 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL9948786 0.90 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL9949217 0.89 HCRTR1 (0.59) HCRTR1HCRTR2HTR1A
SCHEMBL9948904 0.87 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9949343 0.86 HCRTR1 (0.62) HCRTR1HCRTR2HRH4
SCHEMBL9948825 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL9949052 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL9948746 0.85 HCRTR2 (0.60) HCRTR1HCRTR2LMNAHRH4
SCHEMBL9948768 0.85 HCRTR2 (0.60) HCRTR1HCRTR2

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 607/4885HTR1A 855/4885

“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.