SCHEMBL4497455

SCHEMBL4497455

Cc1cc(C(F)(F)F)cnc1N1CC[C@@H](N)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.46
PDE2A O00408 1/20 0.43
SYK P43405 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 2/20 0.41
ABL1 P00519 1/20 0.41
OPRK1 P41145 3/20 0.40
CYP2C19 P33261 2/20 0.39
PIK3CA P42336 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4497461 1.00 AKT1 (0.46) AKT1PDE2ASYKLMNASMN1; SMN2
SCHEMBL22186381 0.92 PTGS1 (0.47) SYKHRH4PTGS1PTGS2
SCHEMBL4499593 0.92 SMN1; SMN2 (0.46) LMNASMN1; SMN2POLBCYP2C19MEN1
Hydrochloric Acid SCHEMBL28610079 0.91 PTGS1 (0.46) SYKHRH4PTGS1PTGS2
Hydrochloric Acid SCHEMBL28610081 0.91 PTGS1 (0.46) SYKHRH4PTGS1PTGS2
SCHEMBL3837784 0.86 HRH4 (0.42) PDE2ASYKLMNASMN1; SMN2HRH4
SCHEMBL22186391 0.86 ACACB (0.47) PDE2ASYKLMNASMN1; SMN2HRH4
SCHEMBL3837787 0.86 HRH4 (0.42) PDE2ASYKLMNASMN1; SMN2HRH4
SCHEMBL22186772 0.85 POLB (0.59) LMNASMN1; SMN2POLBCYP2C19MEN1
SCHEMBL3819615 0.85 POLB (0.59) LMNASMN1; SMN2POLBCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020138271-A1 HETEROCYCLIC DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-02 WO disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1603899-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004078749-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO disclosed
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ AKT1 3958/4885PDE2A 263/4885SYK 3087/4885

“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.