SCHEMBL18690902

SCHEMBL18690902

CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]cc(C=O)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
PDK2 Q15119 1/20 0.45
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
GPR119 Q8TDV5 6/20 0.43
ALK Q9UM73 1/20 0.43
NAMPT P43490 1/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42

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
SCHEMBL18690923 0.83 GFER (0.44) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL24379386 0.81 MAPT (0.56) ALDH1A1MAPTLMNAPDK2CYP2C19
SCHEMBL17422093 0.81 GABRP (0.41) ALDH1A1MAPTLMNACYP2C19CYP1A2
SCHEMBL1892635 0.79 MAPT (0.54) ALDH1A1MAPTLMNAPDK2CYP2C19
SCHEMBL15066686 0.79 PIK3CD (0.54) ALDH1A1MAPTLMNAPDK2CYP2C19
SCHEMBL29509860 0.79 MAPT (0.54) ALDH1A1MAPTLMNAPDK2CYP2C19
SCHEMBL5202863 0.79 PDK2 (0.46) ALDH1A1MAPTLMNAPDK2GPR119
SCHEMBL5201083 0.79 PIK3CA (0.52) ALDH1A1MAPTLMNAPDK2GPR119
SCHEMBL1646122 0.78 MAPT (0.53) ALDH1A1MAPTLMNAPDK2CYP2C19
SCHEMBL12692664 0.78 MAPT (0.53) ALDH1A1MAPTLMNAPDK2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166924-B1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2019-02-20 EP disclosed
US-9974785-B2 Aromatic heterocyclic derivatives and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-05-22 US disclosed
US-20170096392-A1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-06 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-20170096392-A1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF HTR6, HTR3A, HTR5A ALDH1A1 1642/4885MAPT 22/4885LMNA 3151/4885

“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.