SCHEMBL10114294

SCHEMBL10114294

Cn1c(=O)c2c(ncn2CC(=O)NCCOc2ccc(C(C)(C)C)cc2)n(C)c1=O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.68
TP53 P04637 3/20 0.68
MAPK1 P28482 1/20 0.68
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 1/20 0.58
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.53

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
SCHEMBL18166555 0.86 CYP1A2 (0.70) RXFP1TP53MAPK1LMNASMN1; SMN2
SCHEMBL20161800 0.85 ABCC8 (0.59) RXFP1TP53MAPK1SMN1; SMN2CYP1A2
SCHEMBL5462777 0.83 RXFP1 (0.78) RXFP1TP53MAPK1LMNASMN1; SMN2
SCHEMBL18166693 0.83 CYP1A2 (0.68) RXFP1TP53MAPK1LMNASMN1; SMN2
SCHEMBL12584442 0.81 TRPA1 (0.75) RXFP1TP53CYP1A2ABCC8KCNJ11
SCHEMBL12260499 0.81 RXFP1 (0.73) RXFP1TP53MAPK1LMNASMN1; SMN2
SCHEMBL17744968 0.81 RXFP1 (0.75) RXFP1TP53MAPK1LMNASMN1; SMN2
SCHEMBL15396539 0.79 RXFP1 (0.67) RXFP1TP53MAPK1LMNASMN1; SMN2
SCHEMBL12260307 0.79 RXFP1 (0.67) RXFP1TP53MAPK1LMNASMN1; SMN2
SCHEMBL1065336 0.79 CYP1A2 (0.78) RXFP1TP53MAPK1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 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 (4 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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 RXFP1 2802/4885TP53 4822/4885MAPK1 3546/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 RXFP1 611/4885TP53 4400/4885MAPK1 4386/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 RXFP1 33/4885TP53 4573/4885MAPK1 1736/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 RXFP1 611/4885TP53 4400/4885MAPK1 4386/4885

“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.