SCHEMBL102653

SCHEMBL102653

CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.36
DRD2 P14416 5/20 0.33
DRD3 P35462 4/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
USP2 O75604 3/20 0.32
CYP3A4 P08684 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
ABCB11 O95342 2/20 0.32
HTR1A P08908 2/20 0.32
KCNK2 O95069 2/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
NFKB1 P19838 2/20 0.32
OPRM1 P35372 2/20 0.32
THPO P40225 2/20 0.32
OPRK1 P41145 2/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32

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
SCHEMBL142053 0.80 CHRNB2 (0.34) HTR1AHTR7HTR2BHTR6SMN1; SMN2
SCHEMBL102390 0.79 MC4R (0.36) MAPTMC4RSMN1; SMN2
SCHEMBL104142 0.77 HTR2C (0.37) LMNAHTR2CPMP22ALDH1A1
SCHEMBL106880 0.76 CXCR3 (0.38) LMNAMAPTALDH1A1
SCHEMBL103992 0.76 CXCR3 (0.38) LMNAMAPTALDH1A1
SCHEMBL103944 0.76 CXCR3 (0.38) LMNAMAPTALDH1A1
SCHEMBL103650 0.75 NR1H2 (0.54)
SCHEMBL542620 0.74 ESR1 (0.40) LMNAMAPTCYP2D6
SCHEMBL1091706 0.71 VDR (0.33) EGFRGAA
SCHEMBL541860 0.70 HMGCR (0.35)

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 MAPK1 779/4885DRD2 977/4885DRD3 561/4885

“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.