SCHEMBL14701496

SCHEMBL14701496

C[C@H]1CCCN1c1ncc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
MAP3K12 Q12852 1/20 0.40
JAK3 P52333 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 6/20 0.38
SMPD3 Q9NY59 2/20 0.38
LRRK2 Q5S007 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL15891142 1.00 DYRK1A (0.40) DYRK1AMAP3K12JAK3KDM4EALDH1A1
SCHEMBL15879837 1.00 DYRK1A (0.40) DYRK1AMAP3K12JAK3KDM4EALDH1A1
SCHEMBL17210377 0.95 ALDH1A1 (0.44) DYRK1AMAP3K12JAK3KDM4EALDH1A1
SCHEMBL17201983 0.95 ALDH1A1 (0.44) DYRK1AMAP3K12JAK3KDM4EALDH1A1
SCHEMBL22793078 0.84 DYRK1A (0.44) DYRK1AMAP3K12JAK3ALDH1A1PDE10A
SCHEMBL19396079 0.82 DYRK1A (0.40) DYRK1AMAP3K12JAK3ALDH1A1MEN1
SCHEMBL8272981 0.79 DYRK1A (0.49) DYRK1AMAP3K12JAK3ALDH1A1LRRK2
SCHEMBL5774649 0.79 DYRK1A (0.49) DYRK1AMAP3K12JAK3ALDH1A1LRRK2
SCHEMBL26691316 0.79 DYRK1A (0.49) DYRK1AMAP3K12JAK3ALDH1A1LRRK2
SCHEMBL18536638 0.79 DYRK1A (0.42) DYRK1AMAP3K12JAK3ALDH1A1PDE10A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-9394308-B2 Inhibiting the transient receptor potential A1 ion channel MERCK SHARP & DOHME CORP. (US) 2016-07-19 US disclosed
US-9394308-B2 Inhibiting the transient receptor potential A1 ion channel MERCK SHARP & DOHME CORP. (US) 2016-07-19 US disclosed
US-9394308-B2 Inhibiting the transient receptor potential A1 ion channel MERCK SHARP & DOHME CORP. (US) 2016-07-19 US disclosed
EP-2742048-B1 INHIBITING TRANSIENT RECEPTOR POTENTIAL ION CHANNEL TRPA1 HYDRA BIOSCIENCES INC (US) 2016-04-27 EP disclosed
US-20140206650-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
US-20140206650-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
US-20140206650-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
US-20140158116-A1 INHIBITING TRPA1 FOR THE TREATMENT OF ASTHMA CUBIST PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
US-20140163048-A1 COMPOSITIONS WITH INCREASED STABILITY FOR INHIBITING TRANSIENT RECEPTOR POTENTIAL ION CHANNEL TRPA1 CUBIST PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
US-20140163048-A1 COMPOSITIONS WITH INCREASED STABILITY FOR INHIBITING TRANSIENT RECEPTOR POTENTIAL ION CHANNEL TRPA1 CUBIST PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
US-20140158116-A1 INHIBITING TRPA1 FOR THE TREATMENT OF ASTHMA CUBIST PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
US-20130274273-A1 Inhibiting Transient Receptor Potential Ion Channel TRPA1 CUBIST PHARMACEUTICALS, INC. (US) 2013-10-17 US disclosed
US-20130274273-A1 Inhibiting Transient Receptor Potential Ion Channel TRPA1 CUBIST PHARMACEUTICALS, INC. (US) 2013-10-17 US disclosed
WO-2013023102-A1 INHIBITING TRANSIENT RECEPTOR POTENTIAL ION CHANNEL TRPA1 HYDRA BIOSCIENCES, INC. (US) 2013-02-14 WO 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 (6 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 DYRK1A 2860/4885MAP3K12 1885/4885JAK3 4469/4885
US-20130274273-A1 Inhibiting Transient Receptor Potential Ion Channel TRPA1 TRPA1, TRPV1, TRPV2 DYRK1A 4358/4885MAP3K12 2437/4885JAK3 4779/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 DYRK1A 2860/4885MAP3K12 1885/4885JAK3 4469/4885
US-20140206650-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 DYRK1A 4352/4885MAP3K12 2558/4885JAK3 4817/4885
US-20140158116-A1 INHIBITING TRPA1 FOR THE TREATMENT OF ASTHMA TRPA1, TRPV1, TRPV2 DYRK1A 4607/4885MAP3K12 2299/4885JAK3 4521/4885
US-20140163048-A1 COMPOSITIONS WITH INCREASED STABILITY FOR INHIBITING TRANSIENT RECEPTOR POTENTIAL ION CHANNEL TRPA1 TRPA1, TRPV1, TRPV2 DYRK1A 4211/4885MAP3K12 2849/4885JAK3 4836/4885

“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.