SCHEMBL5116996

SCHEMBL5116996

O=C(N[C@H](CCC1CCCCC1)C(=S)NC1CCN(Cc2ccccc2)CC1)c1ccccc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC6A12 P48065 1/20 0.47
PRKAA2 P54646 2/20 0.46
POLB P06746 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
CCR8 P51685 2/20 0.44
TSHR P16473 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5124789 0.88 CHRM4 (0.52) MEN1KMT2APRKAA2KCNH2
SCHEMBL5123289 0.86 KMT2A (0.55) CCR3KMT2ASLC6A12PRKAA2SIGMAR1
SCHEMBL5116279 0.85 POLB (0.46) MEN1KMT2ASLC6A12POLBSIGMAR1
SCHEMBL5116990 0.82 CCR3 (0.51) CCR3MEN1KMT2ASLC6A12PRKAA2
SCHEMBL5116779 0.80 BCHE (0.51) MEN1KMT2ASIGMAR1TSHRDPP7
SCHEMBL5113701 0.80 BCHE (0.51) MEN1KMT2ASIGMAR1TSHRDPP7
SCHEMBL5110138 0.80 BCHE (0.51) MEN1KMT2ASIGMAR1TSHRDPP7
SCHEMBL5116776 0.80 BCHE (0.51) MEN1KMT2ASIGMAR1TSHRDPP7
SCHEMBL5140325 0.80 TSHR (0.43) MEN1KMT2ASLC6A12POLBSIGMAR1
SCHEMBL5118829 0.80 MEN1 (0.52) MEN1KMT2ASLC6A12SIGMAR1TSHR

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 6 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 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 CCR3 4512/4885MEN1 337/4885KMT2A 1244/4885

“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.