SCHEMBL14944939

SCHEMBL14944939

C=C(O)C1CCN(C(C)C)C(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ CCR3 P51677 1/20 0.37

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
SCHEMBL14640362 0.86 L3MBTL1 (0.46) KCNH2HRH3
SCHEMBL22049970 0.77 PRMT3 (0.44) KCNH2HRH3CCR3
SCHEMBL13957384 0.76 S1PR5 (0.46) KCNH2HRH3
SCHEMBL13995045 0.75 SLC18A2 (0.50) —
SCHEMBL2603270 0.75 SLC18A2 (0.50) —
SCHEMBL2603288 0.74 SLC18A2 (0.49) —
SCHEMBL13957383 0.71 KCNH2 (0.43) KCNH2HRH3
SCHEMBL20841376 0.70 KCNH2 (0.47) KCNH2HRH3MAPK1
SCHEMBL18870565 0.69 MC4R (0.44) MAPK1
SCHEMBL14948179 0.68 L3MBTL1 (0.49) —

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 — — US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 — — 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 (2 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP KCNH2 3476/4885HRH3 3418/4885MAPK1 2873/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KCNH2 3465/4885HRH3 3516/4885MAPK1 2911/4885

“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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