SCHEMBL104568

SCHEMBL104568

C/C=C\c1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1N1CCNC[C@H]1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
RAD52 P43351 1/20 0.31
LATS1 O95835 1/20 0.31
HTR2B P41595 2/20 0.31
BRPF1 P55201 2/20 0.30
BRD4 O60885 1/20 0.30
BRD1 O95696 1/20 0.30
BRPF3 Q9ULD4 1/20 0.30

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
SCHEMBL104569 1.00 HTR2C (0.32) HTR2CHTR2AKCNH2RAD52LATS1
SCHEMBL107717 0.86 HTR2C (0.37) HTR2CHTR2AKCNH2HTR2B
SCHEMBL103610 0.86 HTR2C (0.37) HTR2CHTR2AKCNH2HTR2B
SCHEMBL107718 0.86 HTR2C (0.37) HTR2CHTR2AKCNH2HTR2B
SCHEMBL105424 0.85
SCHEMBL105423 0.85
SCHEMBL106913 0.85
SCHEMBL106063 0.83 CHRNB2 (0.34) HTR2CHTR2B
SCHEMBL106064 0.83 CHRNB2 (0.34) HTR2CHTR2B
SCHEMBL3595442 0.81 RAD52 (0.36) HTR2CHTR2ARAD52LATS1HTR2B

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 HTR2C 2623/4885HTR2A 2840/4885KCNH2 1921/4885

“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.