SCHEMBL14710349

SCHEMBL14710349

CCOC(=O)Cc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.53
▸ PDK4 Q16654 1/20 0.51
▸ WNT3A P56704 1/20 0.51
▸ GRM1 Q13255 9/20 0.46
▸ GRM5 P41594 8/20 0.46
▸ HTR6 P50406 1/20 0.45
▸ KIT P10721 1/20 0.44
▸ CDK7 P50613 1/20 0.43
▸ CDK13 Q14004 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ TNK2 Q07912 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ JAK1 P23458 1/20 0.42

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
SCHEMBL14990423 0.89 NAMPT (0.57) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL12440413 0.86 NAMPT (0.56) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL14790770 0.86 NAMPT (0.56) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL24319593 0.85 TLR7 (0.52) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL31342062 0.85 PDK4 (0.50) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL8054238 0.84 NAMPT (0.54) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL8912847 0.83 NAMPT (0.63) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL17876418 0.82 NAMPT (0.57) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL16492725 0.82 NAMPT (0.54) NAMPTPDK4WNT3AGRM1GRM5
SCHEMBL22325023 0.81 NAMPT (0.56) NAMPTPDK4WNT3AGRM1GRM5

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 3 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
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 — — WO 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 NAMPT 1924/4885PDK4 2960/4885WNT3A 3178/4885

“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.

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