SCHEMBL3594818

SCHEMBL3594818

O=C(/C=C1\CCCOc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)N(CCO)CCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.40
RORC P51449 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
NPY5R Q15761 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1F P30939 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL12629992 0.87 TRPV1 (0.39) TRPV1HTR1DPRMT5WDR77HTR1A
SCHEMBL1451210 0.86 TP53 (0.45) TRPV1MAPTTSHR
SCHEMBL3589818 0.86 TRPV1 (0.38) TRPV1RORCHTR1DHTR1BHTR2A
SCHEMBL1450603 0.84 TRPV1 (0.48) TRPV1PRMT5WDR77RAB9A
SCHEMBL12629773 0.82 TRPV1 (0.54) TRPV1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL1450984 0.82 TRPV1 (0.57) TRPV1MAPTTSHRSMN1; SMN2NPSR1
SCHEMBL1450979 0.82 TRPV1 (0.57) TRPV1MAPTTSHRSMN1; SMN2NPSR1
SCHEMBL12629997 0.82 TRPV1 (0.39) TRPV1HTR1DPRMT5WDR77HTR1A
SCHEMBL1450627 0.82 TRPV1 (0.47) TRPV1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL1450631 0.82 TRPV1 (0.47) TRPV1LMNAMAPTSMN1; SMN2NPC1

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 7 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 claimed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 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 (2 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 2518/4885RORC 1478/4885HTR1D 489/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 TRPV1 1/4885RORC 1165/4885HTR1D 173/4885

“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.