SCHEMBL4924735

SCHEMBL4924735

O=C(NCC1C2CN(Cc3ccccc3)CC12)C1NCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
OPRM1 P35372 13/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRK1 P41145 2/20 0.41
OPRD1 P41143 1/20 0.41
SLC22A1 O15245 1/20 0.40
PRCP P42785 1/20 0.40

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
SCHEMBL4913374 0.77 KMT2A (0.56) OPRM1OPRK1OPRD1
SCHEMBL1014404 0.75 S1PR5 (0.50) GRIN2BSIGMAR1
SCHEMBL4687584 0.75 LMNA (0.60)
SCHEMBL4686638 0.75 LMNA (0.60)
SCHEMBL6072947 0.73 HHAT (0.47) GRIN1GRIN2BSIGMAR1
SCHEMBL11104021 0.72 TSHR (0.66) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL4650250 0.72 CFTR (0.43) NPSR1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL11481488 0.71 TSHR (0.68) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL5160890 0.70 TSHR (0.67) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL32689446 0.70 TSHR (0.67) TSHRNPSR1OPRM1SLC6A2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 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-20080255188-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 TSHR 135/4885NPSR1 121/4885OPRM1 78/4885

“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.