SCHEMBL14794829

SCHEMBL14794829

CCOC(=O)c1ccn(-c2ccc(-c3ccc(C4(C(=O)OC)CC4)cc3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
ELOVL1 Q9BW60 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 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
SCHEMBL14710193 0.85 ELOVL1 (0.44) HRH3ELOVL1SMN1; SMN2MAPT
SCHEMBL14790225 0.84 AKT1 (0.40) LMNASMN1; SMN2MAPTTHRBAKT1
SCHEMBL19834374 0.74 NPC1 (0.46) LMNASMN1; SMN2MAPTTHRB
SCHEMBL14710238 0.74 CA12 (0.48) LMNASMN1; SMN2MAPT
SCHEMBL15754826 0.74 NPC1 (0.60) LMNASMN1; SMN2NPSR1MAPTTHRB
SCHEMBL15754911 0.74 NPC1 (0.60) LMNASMN1; SMN2NPSR1MAPT
SCHEMBL9681520 0.74 NPC1 (0.58) NPSR1MAPT
SCHEMBL14711754 0.73 OPRM1 (0.47) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL16329839 0.73 MEN1 (0.49) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL15169106 0.73 ALDH1A1 (0.47) LMNASMN1; SMN2NPSR1MAPT

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 OPRM1 1387/4885HRH3 140/4885SLC22A1 2858/4885

“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.