SCHEMBL21058239

SCHEMBL21058239

CCCCCCC(C)(N)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.52
S1PR4 O95977 7/20 0.52
S1PR3 Q99500 7/20 0.52
S1PR5 Q9H228 6/20 0.50
TNNC1 P63316 5/20 0.49
SGPL1 O95470 1/20 0.49
GPR183 P32249 1/20 0.49
CERS2 Q96G23 1/20 0.49
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SPHK2 Q9NRA0 1/20 0.44

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
SCHEMBL21058255 0.93 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL21058237 0.85 TAAR1 (0.54)
SCHEMBL17351151 0.84 SLC6A2 (0.52) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL27565318 0.84 SLC6A2 (0.52) S1PR1S1PR4S1PR3S1PR5TNNC1
Hydrochloric Acid SCHEMBL5427418 0.83 SLC6A2 (0.50) S1PR1KCNH2SIGMAR1
Water SCHEMBL4443337 0.83 SLC6A2 (0.50) KCNH2SIGMAR1
SCHEMBL20343995 0.82 SLC6A2 (0.44) KCNH2SIGMAR1
SCHEMBL9466924 0.80 TAAR1 (0.48) S1PR1S1PR4S1PR3S1PR5
SCHEMBL17493636 0.79 CETP (0.47) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL19725599 0.79 CETP (0.47) S1PR1S1PR4S1PR3S1PR5TNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT S1PR1 1464/4885S1PR4 993/4885S1PR3 1045/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT S1PR1 1616/4885S1PR4 1093/4885S1PR3 1171/4885

“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.