SCHEMBL4559682

SCHEMBL4559682

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.73
CNR1 P21554 1/20 0.71
CNR2 P34972 1/20 0.71
NAMPT P43490 1/20 0.66
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 1/20 0.60
PKM P14618 1/20 0.60
TRPV1 Q8NER1 4/20 0.60
EPHX2 P34913 2/20 0.60
HPGDS O60760 1/20 0.60
FAAH O00519 1/20 0.59
PRKAB2 O43741 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PRKAG3 Q9UGI9 1/20 0.59
PRKAG2 Q9UGJ0 1/20 0.59
PRKAB1 Q9Y478 1/20 0.59
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57

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
SCHEMBL14306236 0.97 MAPT (0.69) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL6153200 0.95 KMT2A (0.69) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL10253402 0.90 CNR2 (0.88) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL2097739 0.87 MAPT (0.59) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL3072567 0.87 MAPT (0.59) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL10258124 0.87 AKR1C3 (0.62) MAPTCNR1CNR2KMT2AKDM4E
SCHEMBL10253411 0.87 CNR2 (0.78) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL15134839 0.86 EPHX2 (0.69) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL28363944 0.86 SMN1; SMN2 (0.70) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL6764534 0.86 NAMPT (0.61) MAPTCNR1CNR2NAMPTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B MAPT 4149/4885CNR1 2794/4885CNR2 3362/4885

“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.