SCHEMBL9949130

SCHEMBL9949130

Cn1c(N2CCC3(CCN(Cc4ccccc4-c4ccccc4)C3=O)CC2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.67
CRBN Q96SW2 1/20 0.48
HCRTR1 O43613 11/20 0.47
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL2023399 0.81 HCRTR2 (0.74) HCRTR2HCRTR1OPRM1OPRD1OPRK1
SCHEMBL2024543 0.80 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL9948986 0.79 HCRTR2 (0.73) HCRTR2HCRTR1
SCHEMBL9949438 0.78 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL9949315 0.78 HCRTR2 (0.61) HCRTR2CRBNHCRTR1OPRD1
SCHEMBL2026935 0.69 HCRTR2 (0.73) HCRTR2HCRTR1
SCHEMBL2026157 0.66 HCRTR2 (0.71) HCRTR2HCRTR1
SCHEMBL14685207 0.65 HSD11B1 (0.60) ALDH1A1HSD11B1
SCHEMBL14685202 0.65 HSD11B1 (0.60) ALDH1A1HSD11B1
SCHEMBL21496502 0.65 CRBN (1.00) HCRTR2CRBNHSD11B1

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 HCRTR2 607/4885CRBN 2971/4885HCRTR1 593/4885

“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.