SCHEMBL29635867

SCHEMBL29635867

[2H]N1CC[C@@]2(C1)OC(=O)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
NPY5R Q15761 15/20 0.42
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
AVPR1A P37288 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL350821 0.84 SIGMAR1 (0.48) SIGMAR1NPY5RCFTRGOPCAVPR1A
SCHEMBL3223126 0.84 SIGMAR1 (0.48) SIGMAR1NPY5RCFTRGOPCAVPR1A
Hydrochloric Acid SCHEMBL349643 0.83 SIGMAR1 (0.47) SIGMAR1NPY5RCFTRGOPCAVPR1A
SCHEMBL11829064 0.81 SIGMAR1 (0.51) SIGMAR1NPY5RCFTRGOPCAVPR1A
SCHEMBL171980 0.80 SIGMAR1 (0.54) SIGMAR1NPY5RCFTRGOPCAVPR1A
SCHEMBL29674557 0.80 SIGMAR1 (0.54) SIGMAR1NPY5RCFTRGOPCAVPR1A
Hydrochloric Acid SCHEMBL2002554 0.79 SIGMAR1 (0.52) SIGMAR1NPY5RAVPR1ATNKSTNKS2
Hydrochloric Acid SCHEMBL1995606 0.78 SIGMAR1 (0.51) SIGMAR1NPY5RAVPR1ATNKSTNKS2
SCHEMBL8777675 0.77 SIGMAR1 (0.61) SIGMAR1NPY5RCFTRGOPCAVPR1A
SCHEMBL12935304 0.76 SIGMAR1 (0.49) SIGMAR1NPY5RCFTRGOPCAVPR1A

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-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 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-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 SIGMAR1 3694/4885NPY5R 1609/4885CFTR 3232/4885

“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.