SCHEMBL3598505

SCHEMBL3598505

CS(=O)(=O)O.O=C(/C=C1\CCCOc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NC(=O)C(N1CCOCC1)C2

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.45
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CSNK1A1 P48729 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF2 Q9UKS7 1/20 0.37

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
SCHEMBL3590383 0.96 TRPV1 (0.46) TRPV1CNR1CNR2CSNK1A1CRBN
Hydrochloric Acid SCHEMBL3592526 0.96 TRPV1 (0.45) TRPV1CNR1CNR2CSNK1A1CRBN
SCHEMBL3604015 0.94 TRPV1 (0.48) TRPV1CNR1CNR2CSNK1A1CRBN
SCHEMBL3597009 0.92 TRPV1 (0.43) TRPV1CSNK1A1CRBNIKZF2
SCHEMBL13545428 0.92 TRPV1 (0.43) TRPV1CSNK1A1CRBNIKZF2
SCHEMBL3583004 0.92 TRPV1 (0.43) TRPV1CSNK1A1CRBNIKZF2
SCHEMBL3598127 0.90 TRPV1 (0.42) TRPV1CSNK1A1CRBNIKZF2
SCHEMBL13545440 0.90 TRPV1 (0.43) TRPV1CSNK1A1CRBNIKZF2
SCHEMBL3595339 0.90 TRPV1 (0.42) TRPV1CSNK1A1CRBNIKZF2
SCHEMBL3602613 0.88 TRPV1 (0.41) TRPV1CNR1CNR2CSNK1A1CRBN

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TRPV1 2518/4885CNR1 41/4885CNR2 50/4885

“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.