SCHEMBL4929501

SCHEMBL4929501

CC(Oc1ccc(N)cc1C(F)(F)F)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 6/20 0.41
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTR2C P28335 3/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A3 Q01959 2/20 0.36
JAK2 O60674 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
DHODH Q02127 1/20 0.35
HTR2A P28223 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 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
SCHEMBL444816 0.82 SLC6A4 (0.35) SLC6A4SLC6A2HTR2CHTR2BHTR6
SCHEMBL446532 0.80 JAK2 (0.36) SLC6A4SLC6A2GAASLC6A3JAK2
SCHEMBL11338379 0.80 GAA (0.50) GLAPOLBGAATSHRHTR2C
SCHEMBL6638697 0.80 SLC6A2 (0.44) SLC6A4SLC6A2GAATSHRHTR2C
SCHEMBL274220 0.78 SLC6A2 (0.43) SLC6A4SLC6A2GLAPOLBGAA
Hydrochloric Acid SCHEMBL19461916 0.78 GAA (0.48) GLAPOLBGAATSHRHTR2C
SCHEMBL15337708 0.78 SYK (0.48) SLC6A4SLC6A2GLAPOLBGAA
SCHEMBL4371991 0.77 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL2201174 0.76 SLC6A2 (0.41) SLC6A4SLC6A2GLAPOLBGAA
SCHEMBL21984969 0.75 SLC6A4 (0.49) SLC6A4SLC6A2HTR2CHTR2BHTR6

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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 WO 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA SLC6A4 4195/4885SLC6A2 3798/4885GLA 4635/4885

“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.