SCHEMBL9948897

SCHEMBL9948897

Cc1cc(C)nc(N2CCC3(CC2)OCCN(Cc2nocc2-c2ccccc2)C3=O)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.52
HCRTR2 O43614 14/20 0.52
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL9948715 0.86 HCRTR1 (0.49) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9948756 0.85 HCRTR1 (0.72) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9949105 0.85 HCRTR1 (0.52) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9949167 0.83 HCRTR1 (0.51) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9948899 0.82 HCRTR1 (0.72) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9948984 0.82 HCRTR1 (0.72) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9949038 0.81 HCRTR1 (0.50) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL12700405 0.81 HCRTR1 (0.49) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9949596 0.78 HCRTR1 (0.50) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL9948964 0.78 HCRTR2 (0.51) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1

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 607/4885HSD17B10 1178/4885

“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.