SCHEMBL20375137

SCHEMBL20375137

CC(C)(C)CN1CCC(CC(C)(C)N2CCOCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL22955339 0.83 NCF1 (0.41) POLBALDH1A1GAAPKML3MBTL1
SCHEMBL18595930 0.82 CYP1A2 (0.34) ALDH1A1GAACYP1A2CYP2D6
SCHEMBL18745447 0.81 POLB (0.35) POLBALDH1A1GAAPKML3MBTL1
SCHEMBL15706251 0.78 THRA (0.34)
SCHEMBL21743370 0.77 HRH3 (0.37) POLBALDH1A1GAAPKML3MBTL1
SCHEMBL19050582 0.77 POLB (0.33) POLBALDH1A1GAAPKML3MBTL1
SCHEMBL20089204 0.75 POLB (0.32) POLBALDH1A1GAACYP1A2CYP2D6
SCHEMBL22878885 0.75 CYP1A2 (0.32) CYP1A2CYP2D6
SCHEMBL179555 0.74 ALDH1A1 (0.41) ALDH1A1GAACYP1A2CYP2D6
SCHEMBL23788712 0.73

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
US-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ADVANCION CORPORATION 2023-04-27 US disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 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 (2 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-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF NME4, NMBR, NMUR1 POLB 491/4885ALDH1A1 1133/4885GAA 2672/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A POLB 325/4885ALDH1A1 482/4885GAA 1660/4885

“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.