SCHEMBL3600395

SCHEMBL3600395

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCO4)C2=O)CC1C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.52
NR1H3 Q13133 19/20 0.52
HTT P42858 1/20 0.43

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
SCHEMBL3604435 1.00 NR1H2 (0.52) NR1H2NR1H3HTT
SCHEMBL3600393 1.00 NR1H2 (0.52) NR1H2NR1H3HTT
SCHEMBL16579066 1.00 NR1H2 (0.52) NR1H2NR1H3HTT
SCHEMBL3604437 1.00 NR1H2 (0.52) NR1H2NR1H3HTT
SCHEMBL13031368 1.00 NR1H2 (0.52) NR1H2NR1H3HTT
SCHEMBL104274 0.93 NR1H2 (0.61) NR1H2NR1H3HTT
SCHEMBL13031534 0.93 NR1H2 (0.61) NR1H2NR1H3HTT
SCHEMBL3604575 0.93 NR1H2 (0.61) NR1H2NR1H3HTT
SCHEMBL104911 0.90 NR1H2 (0.52) NR1H2NR1H3HTT
SCHEMBL104283 0.90 NR1H2 (0.52) NR1H2NR1H3HTT

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
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US claimed
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 NR1H2 1/4885NR1H3 2/4885HTT 2209/4885

“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.