SCHEMBL9949438

SCHEMBL9949438

O=C1N(Cc2ccccc2-c2ccccc2)CCC12CCN(c1nc3ccccc3[nH]1)CC2

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.67
HCRTR1 O43613 10/20 0.67
NPY5R Q15761 4/20 0.51
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL9949133 0.85 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL9948725 0.82 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL2019322 0.81 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2023334 0.80 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL9948986 0.79 HCRTR2 (0.73) HCRTR2HCRTR1
SCHEMBL9949130 0.78 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL9949315 0.78 HCRTR2 (0.61) HCRTR2HCRTR1NPY5R
SCHEMBL2022987 0.78 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2024540 0.73 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL9949358 0.72 HCRTR2 (0.90) HCRTR2HCRTR1

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
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

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 HCRTR2 607/4885HCRTR1 593/4885NPY5R 3243/4885

“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.