SCHEMBL9959007

SCHEMBL9959007

O=C1OCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.72
HCRTR2 O43614 20/20 0.72
KCNH2 Q12809 1/20 0.47
LTC4S Q16873 1/20 0.47

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
SCHEMBL9948911 0.90 HCRTR1 (0.73) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9949164 0.88 HCRTR2 (0.75) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9949617 0.85 HCRTR2 (0.53) HCRTR1HCRTR2
SCHEMBL2020782 0.84 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL17150221 0.82 HCRTR2 (0.70) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9949573 0.80 HCRTR2 (0.62) HCRTR1HCRTR2
SCHEMBL9948789 0.80 HCRTR2 (0.91) HCRTR1HCRTR2
SCHEMBL9948992 0.79 HCRTR2 (0.72) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9949036 0.78 HCRTR1 (0.76) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2023738 0.78 HCRTR2 (1.00) 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 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 607/4885KCNH2 421/4885

“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.