SCHEMBL5477889

SCHEMBL5477889

CC1CCc2ccccc2C1CC(O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 3/20 0.38
PDPK1 O15530 1/20 0.36
DRD2 P14416 1/20 0.36
CETP P11597 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
BCHE P06276 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ACHE P22303 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR6 P50406 1/20 0.35
PRCP P42785 1/20 0.35
HTR1A P08908 3/20 0.35

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
SCHEMBL5471889 0.75 TRPV1 (0.45) MTNR1AMTNR1BPDPK1CETPSIGMAR1
SCHEMBL5478156 0.73 PDPK1 (0.42) TAS1R3TAS1R1TAS1R2PDPK1DRD2
SCHEMBL5482042 0.71 HTR1A (0.39) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL5467037 0.71 MTNR1A (0.38) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL5482103 0.71 KMT2A (0.37) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL5472058 0.69 HTR1A (0.44) TAS1R3TAS1R1TAS1R2PDPK1DRD2
SCHEMBL10360561 0.68 GRIN2B (0.43) DRD2SIGMAR1
SCHEMBL8425030 0.68 CA2 (0.46) SIGMAR1ADRA2BADRA2CHTR1A
SCHEMBL8428771 0.68 CA2 (0.46) SIGMAR1ADRA2BADRA2CHTR1A
SCHEMBL8425027 0.68 CA2 (0.46) SIGMAR1ADRA2BADRA2CHTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO MTNR1A 2122/4885MTNR1B 2792/4885TAS1R3 2020/4885

“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.