SCHEMBL3057193

SCHEMBL3057193

O=C(CN1CCc2c(Oc3ccc(CNc4ccc(C(F)(F)F)cc4)cn3)cccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
FAAH O00519 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL3065125 0.91 FAAH (0.43) LMNAFAAHSMN1; SMN2KDM4EALDH1A1
SCHEMBL3052257 0.90 FAAH (0.44) LMNAFAAHSMN1; SMN2NPC1CYP3A4
SCHEMBL3055931 0.86 KDM4E (0.48) LMNAFAAHSMN1; SMN2KDM4EALDH1A1
SCHEMBL3047408 0.84 TDP1 (0.47) LMNAFAAHSMN1; SMN2KDM4EALDH1A1
SCHEMBL3061620 0.83 KDM4E (0.47) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL3050849 0.81 ALDH1A1 (0.51) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL3060416 0.81 MEN1 (0.49) LMNAFAAHSMN1; SMN2ALDH1A1MEN1
SCHEMBL3051209 0.81 MEN1 (0.48) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL3065128 0.80 FAAH (0.43) LMNAFAAHSMN1; SMN2KDM4EALDH1A1
SCHEMBL3057195 0.80 HTR2C (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 LMNA 1184/4885FAAH 2709/4885SMN1; SMN2 3814/4885

“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.