SCHEMBL2796930

SCHEMBL2796930

CCOC(=O)C1CC12CCN(C(=O)O)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL15721207 0.84 OPRM1 (0.42) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8171686 0.83 MAPT (0.39) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1286861 0.81 USP2 (0.44) ALDH1A1TSHRNAMPT
SCHEMBL1286799 0.81 BLM (0.48) ALDH1A1TSHRLMNAPOLB
SCHEMBL14725161 0.80 HRH3 (0.47) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16369922 0.80 ALDH1A1 (0.43) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1634121 0.80 ALDH1A1 (0.46) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28501010 0.79 SMN1; SMN2 (0.38) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1634763 0.78 ALDH1A1 (0.49) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1635627 0.78 ALDH1A1 (0.49) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020223136-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2020-11-05 WO disclosed
CN-104520290-B Amido spirocyclic amide and sulfonamide derivatives 基因科技股份有限公司 2020-10-09 CN disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 US disclosed
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 US disclosed
EP-3340988-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES Afasci, Inc. (US) 2018-07-04 EP disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 WO disclosed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 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 (3 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H MAPT 474/4885CYP3A4 2383/4885CYP2D6 2350/4885
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives HRH3, HRH2, HRH4 MAPT 1783/4885CYP3A4 2811/4885CYP2D6 2348/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H MAPT 474/4885CYP3A4 2383/4885CYP2D6 2350/4885

“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.