SCHEMBL4496451

SCHEMBL4496451

NC1CCN(c2nc(C(F)(F)F)cs2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ OGA O60502 1/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ SCD O00767 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ IDH2 P48735 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL4503756 0.91 LCAT (0.42) LCATLMNAOGAKCNH2CTSB
SCHEMBL4503759 0.91 LCAT (0.42) LCATLMNAOGAKCNH2CTSB
SCHEMBL24008941 0.82 LMNA (0.50) LCATLMNAOGAKCNH2CTSB
SCHEMBL24008448 0.80 SMN1; SMN2 (0.49) LCATLMNAOGAKCNH2CTSB
SCHEMBL22657461 0.79 LCAT (0.42) LCATLMNAOGAKCNH2CTSB
SCHEMBL22657529 0.79 LCAT (0.42) LCATLMNAOGAKCNH2CTSB
SCHEMBL2826722 0.78 ADRB1 (0.49) LCATLMNAOGAKCNH2CTSB
SCHEMBL18674645 0.78 LMNA (0.71) LMNAOGANPC1RAB9ASMN1; SMN2
SCHEMBL10391258 0.78 LMNA (0.50) LCATLMNAOGAKCNH2CTSB
Hydrochloric Acid SCHEMBL2273378 0.76 ADRB1 (0.48) LCATLMNAOGAKCNH2CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LCAT 3388/4885LMNA 2076/4885OGA 3627/4885

“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.

Send feedback