SCHEMBL18875805

SCHEMBL18875805

CN1CCN(c2ccc(OCC(C)(C)C)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.52
▸ MDH1 P40925 1/20 0.50
▸ MDH2 P40926 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ PTK2B Q14289 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CHKA P35790 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR3A P46098 1/20 0.44

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
SCHEMBL8363117 0.81 KMT2A (0.66) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL22022308 0.78 HRH3 (0.61) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL12929952 0.77 ALDH1A1 (0.53) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL16218812 0.77 DRD2 (0.59) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL21659428 0.77 HRH3 (0.68) HRH3MAPTKMT2AALDH1A1MEN1
SCHEMBL8363114 0.77 HRH3 (0.63) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL14922320 0.77 HRH3 (0.52) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL8275460 0.77 HRH3 (0.59) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL14922306 0.76 HRH3 (0.52) HRH3MAPTKMT2AALDH1A1KDM4E
SCHEMBL21659290 0.75 HRH3 (0.79) HRH3MAPTALDH1A1GAAHPGD

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-20210054017-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE IONIS PHARMACEUTICALS INC (US) 2021-02-25 — — US disclosed
US-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS IONIS PHARMACEUTICALS, INC. (US) 2017-05-25 — — 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-20210054017-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE GNE, FUT6, GALNT13 HRH3 4844/4885MDH1 2168/4885MDH2 3711/4885
US-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS SI, FABP2, GNE HRH3 4431/4885MDH1 3194/4885MDH2 4069/4885

“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.

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