SCHEMBL4928569

SCHEMBL4928569

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
RAB9A P51151 4/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 3/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 2/20 0.41
LTB4R Q15722 3/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 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
SCHEMBL5412105 0.91 TRPV1 (0.46) TRPV1FFAR1FFAR4USP2KDM4E
SCHEMBL5395614 0.91 LTB4R (0.41) TRPV1POLBLTB4RLTB4R2USP2
SCHEMBL5392273 0.90 TRPV1 (0.44) TRPV1RAB9AFFAR1NPC1POLB
SCHEMBL5409148 0.90 TRPV1 (0.48) TRPV1POLBALDH1A1
SCHEMBL5400596 0.88 TRPV1 (0.48) TRPV1FFAR1NOTUMALDH1A1
SCHEMBL5398696 0.88 TRPV1 (0.47) TRPV1POLBNOTUMKDM4E
SCHEMBL5412150 0.87 TBXAS1 (0.46) TRPV1
SCHEMBL4926471 0.87 POLB (0.45) TRPV1POLBLTB4RLTB4R2LMNA
SCHEMBL4930232 0.87 POLB (0.41) TRPV1POLBLMNAMAPK1NOTUM
SCHEMBL5401132 0.86 TRPV1 (0.51) TRPV1

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-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 EP disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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 (3 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB TRPV1 1916/4885RAB9A 3132/4885FFAR1 65/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 TRPV1 2000/4885RAB9A 3164/4885FFAR1 143/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 TRPV1 2000/4885RAB9A 3164/4885FFAR1 143/4885

“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.