SCHEMBL9956839

SCHEMBL9956839

O=C(Cl)c1cccn1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 2/20 0.33
KMT2A Q03164 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CHRNA7 P36544 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
SLC18A3 Q16572 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9955674 0.82 L3MBTL1 (0.41) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL16220627 0.81 NPC1 (0.38) DRD3NPC1RAB9AHRH3KCNH2
SCHEMBL12868362 0.77 RIPK1 (0.37) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL12883287 0.77 MAOB (0.40) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL1812388 0.76 KDM4E (0.43) NPC1RAB9AHRH3GAAKMT2A
SCHEMBL28081218 0.73 KMT2A (0.50) NPC1RAB9AKCNH2KMT2A
SCHEMBL25446986 0.73 NPC1 (0.42) NPC1RAB9AMAOBKMT2ALMNA
SCHEMBL27643773 0.72 HTR6 (0.39) NPC1RAB9AKMT2ASLC18A3LMNA
SCHEMBL11452769 0.71 CNR2 (0.43) RAB9AKMT2ACNR2LMNA
SCHEMBL28035388 0.70 NPC1 (0.40) DRD2DRD4DRD3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG DRD2 3809/4885DRD4 3776/4885DRD3 1963/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG DRD2 3809/4885DRD4 3776/4885DRD3 1963/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG DRD2 3809/4885DRD4 3776/4885DRD3 1963/4885

“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.