SCHEMBL24200095

SCHEMBL24200095

NCCC1CCCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.49
SPHK1 Q9NYA1 3/20 0.49
VEGFA P15692 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
FAAH O00519 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRD1 P41143 1/20 0.45

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
SCHEMBL4489433 0.95 MEN1 (0.51) SPHK2SPHK1MEN1KMT2AOPRD1
Hydrochloric Acid SCHEMBL6092398 0.94 MEN1 (0.50) MEN1KMT2AOPRD1
SCHEMBL8414527 0.91 SPHK2 (0.47) SPHK2SPHK1VEGFAEGLN1FAAH
SCHEMBL9550064 0.87 SPHK2 (0.51) SPHK2SPHK1FAAHOPRD1
SCHEMBL2446144 0.87 SPHK2 (0.51) SPHK2SPHK1FAAHOPRD1
SCHEMBL4725155 0.87 SPHK2 (0.51) SPHK2SPHK1FAAHOPRD1
SCHEMBL11199979 0.85 SPHK2 (0.50) SPHK2SPHK1VEGFAEGLN1FAAH
Hydrochloric Acid SCHEMBL8547793 0.85 SPHK2 (0.50) SPHK2SPHK1FAAHOPRD1
Hydrochloric Acid SCHEMBL8541840 0.85 SPHK2 (0.50) SPHK2SPHK1FAAHOPRD1
SCHEMBL7272434 0.85 OPRD1 (0.47) MEN1KMT2AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127206-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-04-28 US disclosed
EP-3939954-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-01-19 EP 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-20220127206-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE MGMT, FANCD2, ADAR SPHK2 507/4885SPHK1 868/4885VEGFA 4644/4885

“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.