SCHEMBL3596427

SCHEMBL3596427

CCCc1cc(N2CCN(CCO)CC2)ncc1C(OCc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42
ALDH1A1 P00352 2/20 0.37
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
EPHX2 P34913 1/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
CHRNA7 P36544 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 3/20 0.35
DRD2 P14416 1/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 2/20 0.35
ELANE P08246 1/20 0.35
CFTR P13569 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL169493 0.89 ME2 (0.38) CSF1RKITME2ME1ME3
SCHEMBL103673 0.78 GAA (0.36) ALDH1A1DRD2SRCGAAHTR1A
SCHEMBL106858 0.68 PDE4B (0.40) ALDH1A1KMT2ADRD2MEN1NPC1
SCHEMBL102653 0.64 MAPK1 (0.36) ALDH1A1ADRA1DADRA1ACHRNA7SIGMAR1
SCHEMBL102529 0.64 PARP1 (0.40) ALDH1A1SRCGAAKDM4E
SCHEMBL26707055 0.62 GAA (0.53) ALDH1A1SIGMAR1KMT2ADRD2MEN1
SCHEMBL9559845 0.62 DRD2 (0.73) ADRA1AKMT2ADRD2MEN1TP53
SCHEMBL3979075 0.61 APP (0.51) ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL11447131 0.61 DRD2 (0.71) ADRA1AKMT2ADRD2MEN1TP53
SCHEMBL10833510 0.60 HTR3A (0.66) ALDH1A1DRD2SRCGAAHTR1A

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
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
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 CSF1R 372/4885KIT 1280/4885ALDH1A1 4311/4885

“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.