SCHEMBL17899407

SCHEMBL17899407

CCCN(c1ccccc1C)C(C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 1/20 0.39
LMNA P02545 4/20 0.39
CYP3A4 P08684 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PGR P06401 2/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 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
SCHEMBL1932869 1.00 TP53 (0.42) TP53ALDH1A1ESR1LMNACYP3A4
SCHEMBL23964907 0.85 ESR1 (0.36) TP53ALDH1A1ESR1LMNACYP3A4
SCHEMBL20266342 0.74 TP53 (0.52) TP53ALDH1A1ESR1LMNACYP3A4
SCHEMBL11142390 0.71 TP53 (0.38) TP53ALDH1A1PGRNPSR1ADRA2A
SCHEMBL15957137 0.71 ALDH1A1 (0.43) TP53ALDH1A1ESR1LMNACYP3A4
SCHEMBL21581184 0.71 CYP3A4 (0.40) TP53ALDH1A1LMNACYP3A4TRPM8
SCHEMBL11382855 0.71 ESR1 (0.40) TP53ALDH1A1ESR1LMNACYP3A4
SCHEMBL11588386 0.70 TDP1 (0.37) TP53ALDH1A1LMNACYP3A4TRPM8
SCHEMBL22605727 0.69 TP53 (0.54) TP53ALDH1A1ESR1LMNACYP3A4
SCHEMBL4667661 0.69 ALDH1A1 (0.47) TP53ALDH1A1LMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3242869-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN CELLIX BIO PRIVATE LTD (IN) 2021-10-27 EP disclosed
US-10343994-B2 Compositions and methods for the treatment of inflammation and pain KANDULA MAHESH (IN) 2019-07-09 US disclosed
US-10227301-B2 Compositions and methods for the treatment of inflammation and pain CELLIX BIO PRIVATE LIMITED (IN) 2019-03-12 US disclosed
US-20180155287-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN CELLIX BIO PRIVATE LTD (IN) 2018-06-07 US disclosed
US-20180155287-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN CELLIX BIO PRIVATE LTD (IN) 2018-06-07 US disclosed
US-9464051-B2 Compositions and methods for the treatment of inflammation and pain CELLIX BIO PRIVATE LIMITED (IN) 2016-10-11 US disclosed
US-9464051-B2 Compositions and methods for the treatment of inflammation and pain CELLIX BIO PRIVATE LIMITED (IN) 2016-10-11 US disclosed
US-20160207886-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN CELLIX BIO PRIVATE LIMITED (IN) 2016-07-21 US disclosed
US-20160207886-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN CELLIX BIO PRIVATE LIMITED (IN) 2016-07-21 US disclosed
WO-2016110865-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN CELLIX BIO PRIVATE LIMITED (IN) 2016-07-14 WO disclosed
US-20160194287-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN KANDULA MAHESH (IN) 2016-07-07 US disclosed
US-20160194287-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN KANDULA MAHESH (IN) 2016-07-07 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 (5 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-20180155287-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN IL1B, SI, IL4 TP53 1990/4885ALDH1A1 2162/4885ESR1 1799/4885
US-10227301-B2 Compositions and methods for the treatment of inflammation and pain IL1B, SI, IL4 TP53 1990/4885ALDH1A1 2162/4885ESR1 1799/4885
US-10343994-B2 Compositions and methods for the treatment of inflammation and pain IL1B, SI, IL4 TP53 1990/4885ALDH1A1 2162/4885ESR1 1799/4885
US-20160207886-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN IL1B, SI, IL36G TP53 1721/4885ALDH1A1 3341/4885ESR1 1864/4885
US-20160194287-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN IL1B, SI, IL4 TP53 1990/4885ALDH1A1 2162/4885ESR1 1799/4885

“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.