SCHEMBL4983554

SCHEMBL4983554

CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)CCC(=O)[C@H]1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
SLC18A2 Q05940 3/20 0.39
HTR2A P28223 2/20 0.39
SLC6A3 Q01959 2/20 0.39
RORC P51449 3/20 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
SCHEMBL3477143 1.00 LMNA (0.39) LMNAPOLBALDH1A1RECQLSLC18A2
SCHEMBL706577 0.78 CYP1A2 (0.42) LMNAALDH1A1
SCHEMBL705280 0.78 CYP1A2 (0.42) LMNAALDH1A1
SCHEMBL3180201 0.77 TDP1 (0.43) LMNAALDH1A1SLC6A3
SCHEMBL5023130 0.77 TDP1 (0.43) LMNAALDH1A1SLC6A3
SCHEMBL3179826 0.77 TDP1 (0.43) LMNAALDH1A1SLC6A3
SCHEMBL2503654 0.76 MAPT (0.45) LMNAPOLBALDH1A1SLC18A2HTR2A
SCHEMBL707123 0.76 CYP1A2 (0.43) SLC6A3
SCHEMBL705431 0.76 CYP1A2 (0.43) SLC6A3
SCHEMBL5215996 0.76 SLC6A3 (0.46) LMNARECQLSLC6A3

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-7345083-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 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-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 LMNA 3855/4885POLB 4135/4885ALDH1A1 646/4885

“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.