SCHEMBL4163402

SCHEMBL4163402

COc1ccc([C@H]2CCC(N)(C(=O)O)C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
HPGD P15428 1/20 0.39
SGPL1 O95470 1/20 0.39
PDE5A O76074 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HTT P42858 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL4161136 0.82 MRGPRX4 (0.56) MAPTMEN1KMT2APPARGPPARA
SCHEMBL7365058 0.81 PDE4B (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL2048228 0.79 GRM4 (0.42) ALDH1A1MAPTKMT2AHPGDSGPL1
SCHEMBL3828109 0.79 GRM4 (0.42) ALDH1A1MAPTKMT2AHPGDSGPL1
SCHEMBL2048177 0.79 GRM4 (0.42) ALDH1A1MAPTKMT2AHPGDSGPL1
SCHEMBL4674416 0.79 GRM4 (0.42) ALDH1A1MAPTKMT2AHPGDSGPL1
SCHEMBL10300030 0.78 S1PR1 (0.41) PPARASGPL1
SCHEMBL4167453 0.74 S1PR3 (0.38) ALDH1A1SGPL1
SCHEMBL25309520 0.73 QDPR (0.45) ALDH1A1MAPTGAAMRGPRX4PDE4A
SCHEMBL6937542 0.72 GRM4 (0.49) SGPL1

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-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 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-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds S1PR1, S1PR3, S1PR5 ALDH1A1 3266/4885MAPT 3123/4885RECQL 4812/4885

“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.