SCHEMBL4017010

SCHEMBL4017010

O=C(NCCF)NC1CCc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.48
EPHX2 P34913 4/20 0.48
HTT P42858 1/20 0.44
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
DHODH Q02127 2/20 0.41
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.39

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
SCHEMBL4015713 0.90 TRPV1 (0.58) TRPV1EPHX2HTTDHODH
SCHEMBL4017499 0.86 EPHX2 (0.49) TRPV1EPHX2HTTDHODH
SCHEMBL4014048 0.85 TRPV1 (0.49) TRPV1EPHX2HTTDHODHLMNA
SCHEMBL4017836 0.85 EPHX2 (0.48) TRPV1EPHX2HTTMAOAMAOB
SCHEMBL4017021 0.82 MTNR1A (0.54)
SCHEMBL4023045 0.82 EPHX2 (0.69) EPHX2HTTDHODHLMNAEPHX1
SCHEMBL4014522 0.82 EPHX2 (0.69) EPHX2HTTDHODHLMNAEPHX1
SCHEMBL4014525 0.82 EPHX2 (0.69) EPHX2HTTDHODHLMNAEPHX1
SCHEMBL24803505 0.80 TRPV1 (0.58) TRPV1EPHX2HTTDHODH
SCHEMBL12860195 0.79 MAOA (0.38) TRPV1KDM1AMAOAMAOBDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US claimed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US claimed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C TRPV1 3053/4885EPHX2 370/4885HTT 3760/4885

“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.