SCHEMBL10114399

SCHEMBL10114399

Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(=O)NC2CC2)n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.68
▸ CYP1A2 P05177 1/20 0.67
▸ RXFP1 Q9HBX9 7/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ TP53 P04637 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ POLB P06746 1/20 0.60
▸ PORCN Q9H237 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ TRPA1 O75762 1/20 0.55

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
SCHEMBL10114247 0.85 CYP1A2 (0.77) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL10114577 0.85 TSHR (0.73) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL16510616 0.84 RXFP1 (0.89) CYP1A2RXFP1KMT2ATP53SMN1; SMN2
SCHEMBL10114499 0.83 TSHR (0.83) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL10113906 0.82 RXFP1 (0.84) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL10114493 0.81 TSHR (1.00) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL1065541 0.81 CYP1A2 (0.70) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL10114463 0.81 TSHR (0.67) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL10114474 0.81 CYP1A2 (1.00) TSHRCYP1A2RXFP1KMT2AALOX15
SCHEMBL12584350 0.80 CYP1A2 (0.78) TSHRCYP1A2RXFP1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — US disclosed
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 (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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 TSHR 3225/4885CYP1A2 1369/4885RXFP1 1374/4885
US-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 TSHR 3950/4885CYP1A2 3278/4885RXFP1 2802/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885CYP1A2 2431/4885RXFP1 611/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885CYP1A2 4040/4885RXFP1 33/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885CYP1A2 2431/4885RXFP1 611/4885

“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.

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