SCHEMBL176012

SCHEMBL176012

CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ncc1N1CCN(C(=O)CBr)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
KMT2A Q03164 2/20 0.36
ME2 P23368 2/20 0.36
ME1 P48163 2/20 0.36
ME3 Q16798 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RORC P51449 1/20 0.35
AR P10275 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3593569 0.91 RORC (0.37) GRM5KMT2AME2ME1ME3
SCHEMBL3590902 0.88 GPR119 (0.44) KMT2AMAPT
SCHEMBL105484 0.83 HTR1A (0.42)
SCHEMBL106074 0.77 GAA (0.42) KMT2AHTT
SCHEMBL3592710 0.72 GRM5 (0.41) GRM5KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL103414 0.72 GRM5 (0.41) GRM5KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3601001 0.72 IDO1 (0.37) KMT2AALDH1A1SMN1; SMN2MAPTRORC
SCHEMBL102390 0.69 MC4R (0.36) SMN1; SMN2POLBMAPT
SCHEMBL132842 0.64 GRM5 (0.42) GRM5ALDH1A1RORCLMNA
SCHEMBL106403 0.63 RORC (0.39) GRM5KMT2AALDH1A1SMN1; SMN2POLB

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 GRM5 1608/4885KMT2A 2327/4885ME2 2523/4885

“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.