SCHEMBL105409

SCHEMBL105409

CC=Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1CCCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
NR1H3 Q13133 9/20 0.35
NR1H2 P55055 7/20 0.35
NCF1 P14598 2/20 0.35
ADRB2 P07550 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 8/20 0.35
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR6 P50406 2/20 0.34
ADRA2A P08913 1/20 0.34
AXL P30530 1/20 0.34
HRH1 P35367 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NR1I2 O75469 4/20 0.34
MAOB P27338 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL105408 1.00 CHRNB2 (0.36) CHRNB2CHRNA4NR1H3NR1H2NCF1
SCHEMBL106063 0.80 CHRNB2 (0.34) CHRNB2CHRNA4NCF1ADRB2SMN1; SMN2
SCHEMBL106064 0.80 CHRNB2 (0.34) CHRNB2CHRNA4NCF1ADRB2SMN1; SMN2
SCHEMBL3595436 0.80 RAD52 (0.36) NR1H3NR1H2RORCHTR2CHTR2B
SCHEMBL3595444 0.80 RAD52 (0.36) NR1H3NR1H2RORCHTR2CHTR2B
SCHEMBL3595439 0.80 RAD52 (0.36) NR1H3NR1H2RORCHTR2CHTR2B
SCHEMBL3595442 0.80 RAD52 (0.36) NR1H3NR1H2RORCHTR2CHTR2B
SCHEMBL102624 0.78 RORC (0.41) NR1H3NR1H2RORCNR1I2
SCHEMBL102623 0.78 RORC (0.41) NR1H3NR1H2RORCNR1I2
SCHEMBL106274 0.76 MAPT (0.46) RORC

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 CHRNB2 678/4885CHRNA4 1213/4885NR1H3 2/4885

“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.