SCHEMBL13182829

SCHEMBL13182829

CCCc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.60
KIF11 P52732 2/20 0.50
MAOB P27338 2/20 0.49
CASR P41180 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
PTPN5 P54829 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
MGLL Q99685 1/20 0.44
FFAR1 O14842 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL18015796 0.88 TAAR1 (0.54) AGXTKIF11MAOBTAAR1SIGMAR1
SCHEMBL257786 0.86 AGXT (0.64) AGXTKIF11MAOBCASRTAAR1
SCHEMBL12158551 0.84 FFAR1 (0.58) AGXTMAOBFFAR1
SCHEMBL24005570 0.84 CTSS (0.50) AGXTCTSSCTSK
SCHEMBL18014707 0.83 AGXT (0.60) AGXTKIF11MAOBCASRPTPN5
SCHEMBL19567187 0.83 MAOB (0.69) AGXTKIF11MAOBTAAR1PTPN5
SCHEMBL2652456 0.83 AGXT (0.60) AGXTKIF11MAOBCASRTAAR1
SCHEMBL27962427 0.83 AGXT (0.60) AGXTKIF11MAOBCASRTAAR1
SCHEMBL9809579 0.82 MAOB (0.63) KIF11MAOBTAAR1CTSSCTSK
SCHEMBL15238584 0.82 MCL1 (0.49) MAOBTAAR1MAPTFFAR1CTSS

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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS AGXT 1644/4885KIF11 4113/4885MAOB 1769/4885

“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.