SCHEMBL3595436

SCHEMBL3595436

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
NR1H3 Q13133 8/20 0.35
RORC P51449 8/20 0.35
NR1H2 P55055 7/20 0.35
NR1I2 O75469 3/20 0.35
LATS1 O95835 1/20 0.34
HTR2C P28335 5/20 0.33
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32

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
SCHEMBL3595444 1.00 RAD52 (0.36) RAD52NR1H3RORCNR1H2NR1I2
SCHEMBL3595439 1.00 RAD52 (0.36) RAD52NR1H3RORCNR1H2NR1I2
SCHEMBL3595442 1.00 RAD52 (0.36) RAD52NR1H3RORCNR1H2NR1I2
SCHEMBL102208 0.83 NR1H2 (0.36) NR1H3RORCNR1H2NR1I2HTR2C
SCHEMBL102211 0.83 NR1H2 (0.36) NR1H3RORCNR1H2NR1I2HTR2C
SCHEMBL102210 0.83 NR1H2 (0.36) NR1H3RORCNR1H2NR1I2HTR2C
SCHEMBL102209 0.83 NR1H2 (0.36) NR1H3RORCNR1H2NR1I2HTR2C
SCHEMBL104568 0.81 HTR2C (0.32) RAD52LATS1HTR2CHTR2AHTR2B
SCHEMBL104569 0.81 HTR2C (0.32) RAD52LATS1HTR2CHTR2AHTR2B
SCHEMBL105408 0.80 CHRNB2 (0.36) NR1H3RORCNR1H2NR1I2HTR2C

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 RAD52 1629/4885NR1H3 2/4885RORC 19/4885

“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.