SCHEMBL104584

SCHEMBL104584

CCCc1cc(N2CCN(CCOC(C)=O)CC2)ncc1C(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGT8 Q16880 1/20 0.39
PARP1 P09874 3/20 0.38
PARP2 Q9UGN5 2/20 0.38
HTR4 Q13639 4/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
HTR1A P08908 5/20 0.35
DRD2 P14416 5/20 0.35
HTR2A P28223 5/20 0.35
SLC18A3 Q16572 1/20 0.35
IKBKB O14920 1/20 0.35
PTPN11 Q06124 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL102529 0.86 PARP1 (0.40) UGT8PARP1PARP2IKBKBPTPN11
SCHEMBL103930 0.80 HTR4 (0.33) HTR4CSF1RKITSLC18A3HRH3
SCHEMBL103081 0.78 MEN1 (0.38) UGT8HTR4CSF1RKITSLC18A3
SCHEMBL106858 0.76 PDE4B (0.40) DRD2HRH3
SCHEMBL169493 0.70 ME2 (0.38) CSF1RKITDRD2
SCHEMBL27662275 0.69 HTR4 (0.42) HTR4SLC18A3HRH3
SCHEMBL905365 0.69 TACR1 (0.49) PARP1PARP2HTR1ADRD2HTR2A
SCHEMBL27658356 0.68 SMO (0.40) IKBKB
SCHEMBL27658351 0.68 HRH4 (0.40) IKBKBHRH3
SCHEMBL103078 0.67 FLT1 (0.39)

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 UGT8 899/4885PARP1 4088/4885PARP2 4700/4885

“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.