SCHEMBL5482042

SCHEMBL5482042

C=CC(O)(CC1c2ccccc2CCC1C)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.39
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 3/20 0.35
OPRM1 P35372 1/20 0.34
PDPK1 O15530 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 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
SCHEMBL5467037 0.88 MTNR1A (0.38) HTR1AMTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL5478308 0.77 TRPV1 (0.41) MTNR1AMTNR1BTAS1R3TAS1R1PDPK1
SCHEMBL5476405 0.73 NR3C1 (0.37)
SCHEMBL5175482 0.73 NR3C1 (0.37)
SCHEMBL5476398 0.73 NR3C1 (0.37)
SCHEMBL5477889 0.71 MTNR1A (0.38) HTR1AMTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL5478156 0.69 PDPK1 (0.42) HTR1ATAS1R3TAS1R1TAS1R2OPRM1
SCHEMBL5472058 0.68 HTR1A (0.44) HTR1ATAS1R3TAS1R1TAS1R2PDPK1
SCHEMBL10360561 0.64 GRIN2B (0.43) DRD2SIGMAR1
SCHEMBL5473120 0.64 TRPV1 (0.46) MTNR1AMTNR1BPDPK1

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 HTR1A 660/4885MTNR1A 2122/4885MTNR1B 2792/4885

“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.