SCHEMBL82355

SCHEMBL82355

C[C@@](N)(CO)CCc1ccc(OCCCc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.58
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
IDO1 P14902 2/20 0.36
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
MCHR1 Q99705 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
SCHEMBL81475 1.00 S1PR1 (0.58) S1PR1GLASMN1; SMN2GPR84IDO1
SCHEMBL81476 1.00 S1PR1 (0.58) S1PR1GLASMN1; SMN2GPR84IDO1
Hydrochloric Acid SCHEMBL79681 0.99 S1PR1 (0.57) S1PR1GLASMN1; SMN2GPR84IDO1
Hydrochloric Acid SCHEMBL79964 0.99 S1PR1 (0.57) S1PR1GLASMN1; SMN2GPR84IDO1
Hydrochloric Acid SCHEMBL80918 0.99 S1PR1 (0.57) S1PR1GLASMN1; SMN2GPR84IDO1
SCHEMBL78712 0.89 S1PR1 (0.69) S1PR1GLASMN1; SMN2GPR84IDO1
Hydrochloric Acid SCHEMBL79205 0.88 S1PR1 (0.68) S1PR1GLASMN1; SMN2GPR84IDO1
SCHEMBL78656 0.88 S1PR1 (0.67) S1PR1GLASMN1; SMN2GPR84S1PR4
SCHEMBL86698 0.88 S1PR1 (0.67) S1PR1GLASMN1; SMN2GPR84S1PR4
SCHEMBL78657 0.88 S1PR1 (0.67) S1PR1GLASMN1; SMN2GPR84S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
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-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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885GLA 2688/4885SMN1; SMN2 3560/4885

“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.