SCHEMBL86111

SCHEMBL86111

COc1cccc(CCCOc2ccc(CCC(N)(CO)CO)cc2C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.67
MTNR1B P49286 3/20 0.42
MTNR1A P48039 2/20 0.42
S1PR3 Q99500 3/20 0.41
TAAR1 Q96RJ0 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
TNNC1 P63316 5/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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 SCHEMBL79054 0.99 S1PR1 (0.66) S1PR1MTNR1BMTNR1AS1PR3TAAR1
SCHEMBL79375 0.91 S1PR1 (0.56) S1PR1MTNR1BMTNR1AS1PR3GRM2
SCHEMBL86214 0.91 S1PR1 (0.71) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL79374 0.90 S1PR1 (0.55) S1PR1MTNR1BMTNR1AS1PR3GRM2
SCHEMBL79288 0.90 S1PR1 (0.64) S1PR1S1PR3TNNC1SGPL1S1PR4
Hydrochloric Acid SCHEMBL81771 0.90 S1PR1 (0.70) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL86438 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL81655 0.89 S1PR1 (0.63) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL86475 0.88 S1PR1 (0.73) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL79312 0.88 S1PR1 (0.70) S1PR1S1PR3GRM2GRM3TNNC1

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 511/4885MTNR1B 776/4885MTNR1A 1303/4885

“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.