SCHEMBL15918987

SCHEMBL15918987

CNCCN[C@H]1CCCC[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.36
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
PRMT8 Q9NR22 2/20 0.36
PRMT1 Q99873 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 7/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1760526 0.81 TSHR (0.44) SMN1; SMN2TSHRNPSR1EPHX1USP2
SCHEMBL21660010 0.80 SMN1; SMN2 (0.40) SMN1; SMN2TSHRNPSR1EPHX1USP2
SCHEMBL12535887 0.78 SMN1; SMN2 (0.42) SMN1; SMN2TSHRNPSR1EPHX1USP2
SCHEMBL11922817 0.77 FUCA1 (0.50) SMN1; SMN2TSHRNPSR1EPHX1POLB
SCHEMBL25120945 0.77 EPHX1 (0.43) SMN1; SMN2TSHRNPSR1EPHX1USP2
SCHEMBL23374529 0.76 FUCA1 (0.36) SMN1; SMN2TSHRNPSR1EPHX1ALDH1A1
SCHEMBL23374497 0.76 FUCA1 (0.36) SMN1; SMN2TSHRNPSR1EPHX1ALDH1A1
SCHEMBL21619467 0.75 S1PR1 (0.51) EPHX1
Alcohol SCHEMBL14109310 0.75 SMN1; SMN2 (0.40) SMN1; SMN2TSHRNPSR1EPHX1USP2
SCHEMBL3698326 0.75 S1PR1 (0.41) SMN1; SMN2TSHRNPSR1EPHX1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SMN1; SMN2 3450/4885TSHR 449/4885CARM1 4611/4885

“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.