SCHEMBL22757296

SCHEMBL22757296

CCCC[C@@H]1CCN(C(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.39
LSS P48449 2/20 0.36
DPP4 P27487 2/20 0.36
HRH3 Q9Y5N1 4/20 0.36
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GNAO1 P09471 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 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
SCHEMBL19083183 1.00 CYP1A2 (0.42) CYP1A2MAPTLSSDPP4HRH3
SCHEMBL20227968 0.89 CYP1A2 (0.48) CYP1A2MAPTLSSDPP4POLB
SCHEMBL23507601 0.88 HRH3 (0.37) HRH3
SCHEMBL15701831 0.88 HRH3 (0.37) HRH3
SCHEMBL26869099 0.88 HRH3 (0.37) HRH3
SCHEMBL7706841 0.88 CYP1A2 (0.50) CYP1A2MAPTDPP4HRH3POLB
SCHEMBL19087091 0.85 CYP1A2 (0.39) CYP1A2MAPTLSSDPP4HRH3
SCHEMBL18270439 0.85 HRH3 (0.36) HRH3
SCHEMBL21078343 0.84 LSS (0.47) CYP1A2MAPTLSSHTT
SCHEMBL20088214 0.83 ESRRG (0.35) MAPTHRH3LMNA

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
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
WO-2020253862-A1 NITROGEN-CONTAINING ARYL PHOSPHORUS OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-24 WO disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 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-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 CYP1A2 4579/4885MAPT 3799/4885LSS 2690/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 CYP1A2 4261/4885MAPT 3710/4885LSS 2848/4885

“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.