SCHEMBL10186387

SCHEMBL10186387

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)c3ccc(C)c(Cl)c3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.45
HRH3 Q9Y5N1 3/20 0.44
TSHR P16473 2/20 0.43
CCR3 P51677 1/20 0.41
F10 P00742 2/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL10185030 0.93 TSHR (0.45) CHRM1TSHRCCR3F10POLB
SCHEMBL10184402 0.91 HRH3 (0.45) CHRM1HRH3CCR3KDM4EMEN1
SCHEMBL660926 0.90 SMN1; SMN2 (0.47) CHRM1HRH3F10POLBSMN1; SMN2
SCHEMBL660927 0.90 SMN1; SMN2 (0.47) CHRM1HRH3F10POLBSMN1; SMN2
SCHEMBL10184828 0.89 TSHR (0.48) CHRM1HRH3TSHRCCR3F10
SCHEMBL10186100 0.87 NPC1 (0.46) HRH3POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL10186082 0.85 TSHR (0.50) CHRM1HRH3TSHRCCR3F10
SCHEMBL10186081 0.85 CCR3 (0.43) CHRM1TSHRCCR3F10POLB
SCHEMBL10184940 0.85 EPHX2 (0.48) CHRM1HRH3POLBCHRM2CHRM5
SCHEMBL10184855 0.85 CCR3 (0.45) CHRM1HRH3TSHRCCR3F10

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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 CHRM1 2527/4885HRH3 2422/4885TSHR 4189/4885

“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.