SCHEMBL16509641

SCHEMBL16509641

CC1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.70
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
HPGD P15428 2/20 0.64
TSHR P16473 1/20 0.64
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
GRM5 P41594 1/20 0.60
TDP1 Q9NUW8 2/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 2/20 0.55
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
NAMPT P43490 1/20 0.54

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
SCHEMBL6684885 0.88 RECQL (0.82) RECQLKMT2AMEN1HPGDCA12
SCHEMBL13431544 0.87 RECQL (0.60) RECQLKMT2AMEN1HPGDTSHR
SCHEMBL13431543 0.87 RECQL (0.60) RECQLKMT2AMEN1HPGDTSHR
SCHEMBL16252991 0.84 KMT2A (0.61) KMT2AMEN1HPGDTSHRTDP1
SCHEMBL3456176 0.82 RECQL (0.73) RECQLKMT2AMEN1HPGDCA12
SCHEMBL8280316 0.82 GAA (0.69) KMT2AMEN1HPGDTSHRCA12
SCHEMBL23638228 0.82 RECQL (1.00) RECQLKMT2AMEN1HPGDCA12
SCHEMBL17319230 0.82 GAA (0.67) KMT2AMEN1HPGDTSHRTDP1
SCHEMBL3712268 0.82 MEN1 (0.67) KMT2AMEN1HPGDTSHRTDP1
SCHEMBL14311713 0.81 GRM5 (0.85) RECQLKMT2AMEN1HPGDCA12

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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 RECQL 4799/4885KMT2A 3143/4885MEN1 4853/4885

“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.