SCHEMBL19230337

SCHEMBL19230337

CCCC(C)(C)CN1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
MC4R P32245 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL21880959 0.88 GNAO1 (0.34) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL21653957 0.86 GNAO1 (0.37) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL19507607 0.84 ALDH1A1 (0.35) KDM4EALDH1A1MAPT
SCHEMBL24335467 0.84 GNAO1 (0.40) HTTKDM4EALDH1A1RAB9A
SCHEMBL21880941 0.83 HTT (0.36) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL18799801 0.83 RAB9A (0.37) KDM4EALDH1A1MAPTMC4RCHRM2
SCHEMBL19255440 0.82 ATM (0.31) HTTALDH1A1
SCHEMBL14420950 0.82 HTT (0.38) HTTKDM4EALDH1A1MAPTRECQL
SCHEMBL18824000 0.81
SCHEMBL23747753 0.81 HTT (0.39) HTTKDM4EALDH1A1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed
US-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 US disclosed
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-04-09 US disclosed
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2018-06-19 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 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 (8 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-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 HTT 1578/4885KDM4E 2980/4885ALDH1A1 350/4885
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 HTT 1578/4885KDM4E 2980/4885ALDH1A1 350/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 HTT 1578/4885KDM4E 2980/4885ALDH1A1 350/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 HTT 1999/4885KDM4E 1043/4885ALDH1A1 2438/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A HTT 2472/4885KDM4E 749/4885ALDH1A1 4780/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 HTT 1578/4885KDM4E 2980/4885ALDH1A1 350/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A HTT 2472/4885KDM4E 749/4885ALDH1A1 4780/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 HTT 3760/4885KDM4E 689/4885ALDH1A1 2264/4885

“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.