SCHEMBL3775418

SCHEMBL3775418

O=C(NC1CCCCCC1)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 5/20 0.61
KCNK3 O14649 2/20 0.61
KCNK9 Q9NPC2 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 1/20 0.58
ANO1 Q5XXA6 1/20 0.57
HTR2B P41595 1/20 0.57
PTGES O14684 1/20 0.57
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.55
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
SMYD3 Q9H7B4 1/20 0.54
LMNA P02545 2/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52

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
SCHEMBL3771296 0.88 NPC1 (0.64) ACKR3RAB9ANPC1L3MBTL1ANO1
SCHEMBL3764438 0.87 HTR2B (0.58) RAB9ANPC1KCNK3KCNK9L3MBTL1
SCHEMBL3766917 0.86 F2R (0.63) RAB9ANPC1L3MBTL1ANO1HTR2B
SCHEMBL3764424 0.86 HTR2B (0.63) ACKR3RAB9ANPC1L3MBTL1MAPT
SCHEMBL3767147 0.86 RAB9A (0.67) ACKR3RAB9ANPC1KCNK3KCNK9
SCHEMBL3766555 0.86 HTR2B (0.57) RAB9ANPC1L3MBTL1ANO1HTR2B
SCHEMBL3771105 0.84 RAB9A (0.55) RAB9ANPC1ANO1HTR2BKMT2A
SCHEMBL3771553 0.83 KCNK3 (0.63) KCNK3KCNK9HTR2BPTGESEPHX2
SCHEMBL3771747 0.83 KCNK3 (0.63) ACKR3RAB9ANPC1KCNK3KCNK9
SCHEMBL3455501 0.82 RAB9A (0.72) RAB9ANPC1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 ACKR3 1463/4885RAB9A 2083/4885NPC1 145/4885

“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.