SCHEMBL86882

SCHEMBL86882

NC(CO)(CO)CCc1ccc(OCCCc2cc(Cl)ccc2Cl)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.64
SLC6A4 P31645 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.36
IDO1 P14902 2/20 0.35
S1PR3 Q99500 3/20 0.35
TNNC1 P63316 5/20 0.34
SGPL1 O95470 1/20 0.34
S1PR4 O95977 1/20 0.34
GPR183 P32249 1/20 0.34
CERS2 Q96G23 1/20 0.34
S1PR5 Q9H228 1/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34

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
Hydrochloric Acid SCHEMBL80995 0.99 S1PR1 (0.63) S1PR1SLC6A4MRGPRX4IDO1S1PR3
SCHEMBL86345 0.92 S1PR1 (0.64) S1PR1SLC6A4MRGPRX4S1PR3TNNC1
SCHEMBL13463946 0.91 S1PR1 (0.63) S1PR1SLC6A4MRGPRX4S1PR3TNNC1
Hydrochloric Acid SCHEMBL79486 0.91 S1PR1 (0.63) S1PR1SLC6A4MRGPRX4S1PR3TNNC1
SCHEMBL86307 0.91 S1PR1 (0.63) S1PR1MRGPRX4IDO1S1PR3TNNC1
SCHEMBL81574 0.90 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL86557 0.90 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL81575 0.90 S1PR1 (0.53) S1PR1SLC6A4MRGPRX4S1PR3
Hydrochloric Acid SCHEMBL79916 0.90 S1PR1 (0.62) S1PR1MRGPRX4IDO1S1PR3TNNC1
SCHEMBL86824 0.88 S1PR1 (0.71) S1PR1MRGPRX4S1PR3TNNC1SGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885SLC6A4 45/4885MRGPRX4 92/4885

“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.