SCHEMBL138524

SCHEMBL138524

CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR6 P50406 4/20 0.40
RORC P51449 9/20 0.36
ADRB2 P07550 1/20 0.34
NR1I2 O75469 1/20 0.34
HTR3A P46098 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
SCHEMBL138523 1.00 HTR1A (0.41) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL103610 0.87 HTR2C (0.37) SLC6A2SLC6A4SLC6A3RORCNR1I2
SCHEMBL107717 0.87 HTR2C (0.37) SLC6A2SLC6A4SLC6A3RORCNR1I2
SCHEMBL107718 0.87 HTR2C (0.37) SLC6A2SLC6A4SLC6A3RORCNR1I2
SCHEMBL106403 0.85 RORC (0.39) RORC
SCHEMBL106404 0.85 RORC (0.39) RORC
SCHEMBL168097 0.82 SLC2A1 (0.44) RORC
SCHEMBL103414 0.82 GRM5 (0.41) RORC
SCHEMBL168096 0.82 SLC2A1 (0.44) RORC
SCHEMBL3592710 0.82 GRM5 (0.41) 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 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.