SCHEMBL26935949

SCHEMBL26935949

CCCCN(C)CC=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM4C Q9H3R0 6/20 0.34
KDM5A P29375 4/20 0.34
KDM4A O75164 2/20 0.33
PHF8 Q9UPP1 1/20 0.33
GGPS1 O95749 4/20 0.32
SQLE Q14534 1/20 0.32
DNM1 Q05193 2/20 0.32
FDPS P14324 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 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
SCHEMBL9969645 0.86 SQLE (0.31) SQLE
SCHEMBL14530067 0.80 LSS (0.45) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL15901569 0.79 CA12 (0.37) KDM4CKDM5APHF8ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL22771967 0.77 CA12 (0.35) KDM5ADNM1ALDH1A1ALDH2CA12
SCHEMBL15228459 0.77 SQLE (0.53) GGPS1SQLEALDH1A1
SCHEMBL11685165 0.75 DNM1 (0.38) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL15228332 0.75 SQLE (0.51) GGPS1SQLEALDH1A1
SCHEMBL1462685 0.71
SCHEMBL5961343 0.71
SCHEMBL29066997 0.71 DNM1 (0.41) KDM4CKDM5APHF8DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399332-A1 IMIDAZO[1,2-a]PYRAZINE OR PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND USE THEREOF TENCENT TECHNOLOGY (SHENZHEN) COMPANY LIMITED (CN) 2023-12-14 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-20230399332-A1 IMIDAZO[1,2-a]PYRAZINE OR PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND USE THEREOF CYP2D6, UGT1A1, TPMT S1PR2 1565/4885S1PR1 1381/4885S1PR3 1244/4885

“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.