SCHEMBL3591355

SCHEMBL3591355

CC(C)(C)OC(=O)N1CCC(COc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.59
RBP4 P02753 1/20 0.56
GPR119 Q8TDV5 6/20 0.55
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
HDAC1 Q13547 1/20 0.49
ESRRB O95718 1/20 0.49
ESR1 P03372 1/20 0.49
ESRRA P11474 1/20 0.49
ESRRG P62508 1/20 0.49
CHEK2 O96017 1/20 0.48

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
SCHEMBL632049 0.86 RBP4 (0.77) TGFBR1RBP4GPR119KDM4EPKM
SCHEMBL9013830 0.85 GPR119 (0.57) TGFBR1GPR119CHEK2
SCHEMBL3249170 0.84 KDM4E (0.61) GPR119KDM4EPKMCHEK2
SCHEMBL3579174 0.83 KMT2A (0.56) RBP4KDM4EMEN1KMT2ADRD2
SCHEMBL3588172 0.81 RBP4 (0.67) RBP4MEN1KMT2ADRD2HTR2A
SCHEMBL12736051 0.81 GPR119 (0.59) TGFBR1GPR119KDM4EPKMMEN1
SCHEMBL65285 0.81 GPR119 (0.59) GPR119KDM4EPKMKMT2AHDAC1
SCHEMBL12813454 0.80 YAP1 (0.66) GPR119KDM4EPKM
SCHEMBL11394317 0.79 KCNA5 (0.58) HDAC1CHEK2
SCHEMBL18240932 0.79 KDM4E (0.54) GPR119KDM4EPKMMEN1KMT2A

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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 TGFBR1 2467/4885RBP4 4474/4885GPR119 338/4885

“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.