SCHEMBL5124789

SCHEMBL5124789

O=C(N[C@H](CCC1CCCCC1)C(=S)NC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.52
KCNH2 Q12809 1/20 0.52
SLC2A1 P11166 1/20 0.51
LTA4H P09960 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ACHE P22303 2/20 0.49
PRKAA2 P54646 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
BCHE P06276 1/20 0.49
ATM Q13315 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL5123289 0.93 KMT2A (0.55) KMT2AACHEPRKAA2BCHE
SCHEMBL5116996 0.88 CCR3 (0.53) KCNH2MEN1KMT2APRKAA2
SCHEMBL5118829 0.88 MEN1 (0.52) CHRM4KCNH2MEN1KMT2AACHE
SCHEMBL5110349 0.82 KMT2A (0.47) MEN1KMT2AACHEBCHE
SCHEMBL5110138 0.82 BCHE (0.51) KCNH2MEN1KMT2AACHEBCHE
SCHEMBL5116776 0.82 BCHE (0.51) KCNH2MEN1KMT2AACHEBCHE
SCHEMBL5116779 0.82 BCHE (0.51) KCNH2MEN1KMT2AACHEBCHE
SCHEMBL5113701 0.82 BCHE (0.51) KCNH2MEN1KMT2AACHEBCHE
SCHEMBL5124782 0.82 SLC2A1 (0.48) CHRM4KCNH2SLC2A1LTA4HMEN1
SCHEMBL5116279 0.81 POLB (0.46) KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US claimed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CHRM4 2286/4885KCNH2 73/4885SLC2A1 1230/4885

“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.