SCHEMBL9949023

SCHEMBL9949023

O=C(O)N1CCNC(=O)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.58
OPRM1 P35372 6/20 0.58
OPRD1 P41143 6/20 0.58
OPRK1 P41145 6/20 0.58
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 2/20 0.47
CHRM2 P08172 3/20 0.46
CHRM3 P20309 1/20 0.46
CACNA1F O60840 1/20 0.46
ADRB1 P08588 1/20 0.46
DRD2 P14416 1/20 0.46
SLC6A2 P23975 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
SCHEMBL9949115 0.84 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL23041363 0.77 SLC6A9 (0.47) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL9234226 0.76 OPRM1 (0.34) OPRL1OPRM1HSD17B10
SCHEMBL3647086 0.75 LTA4H (0.61) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL9029374 0.75 OPRL1 (0.70) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL9948790 0.74 HSD17B10 (0.43) HSD17B10CYP2D6
SCHEMBL10940285 0.74 ALDH1A1 (0.37) TSHRALDH1A1CYP2D6CHRM2L3MBTL1
SCHEMBL6615174 0.74 OPRL1 (0.61) OPRL1OPRM1OPRD1OPRK1TSHR
SCHEMBL7847623 0.74 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL9948876 0.73 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1TSHR

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 2 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 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 OPRL1 759/4885OPRM1 254/4885OPRD1 162/4885

“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.