SCHEMBL9949042

SCHEMBL9949042

CNC(=O)c1cccc(-c2cn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.56
HCRTR2 O43614 10/20 0.56
FGFR1 P11362 4/20 0.36
FGFR3 P22607 4/20 0.36
NTRK1 P04629 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
TAF1 P21675 1/20 0.35
BMPR1B O00238 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
TNIK Q9UKE5 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9949046 0.92 HCRTR1 (0.58) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL9948856 0.90 HCRTR1 (0.56) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL9949343 0.88 HCRTR1 (0.62) HCRTR1HCRTR2KDM4E
SCHEMBL9948786 0.87 HCRTR1 (0.72) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL9948746 0.86 HCRTR2 (0.60) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL9948768 0.86 HCRTR2 (0.60) HCRTR1HCRTR2
SCHEMBL9948991 0.86 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL9949163 0.85 HCRTR1 (0.59) HCRTR1HCRTR2ALDH1A1
SCHEMBL9949134 0.85 HCRTR1 (0.59) HCRTR1HCRTR2ALDH1A1HPGDHSD17B10
SCHEMBL9948927 0.85 HCRTR1 (0.61) HCRTR1HCRTR2KDM4EHPGDHSD17B10

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 7 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
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 607/4885FGFR1 2727/4885

“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.