SCHEMBL105484

SCHEMBL105484

CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR6 P50406 7/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ADRB2 P07550 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
PRMT5 O14744 1/20 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
SCHEMBL3593569 0.86 RORC (0.37)
SCHEMBL3590902 0.83 GPR119 (0.44)
SCHEMBL176012 0.83 GRM5 (0.38)
SCHEMBL138524 0.69 HTR1A (0.41) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL138523 0.69 HTR1A (0.41) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL142053 0.65 CHRNB2 (0.34) HTR1AHTR6ADRB2
SCHEMBL404338 0.64 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL29432674 0.64 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL28042823 0.63 SLC6A4 (0.66) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4673484 0.61 HTR1A (1.00) HTR1ASLC6A2SLC6A4SLC6A3HTR6

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 HTR1A 2652/4885SLC6A2 4522/4885SLC6A4 4690/4885

“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.