SCHEMBL17201983

SCHEMBL17201983

CC1CCCCN1c1ncc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
JAK3 P52333 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 1/20 0.40
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DYRK1A Q13627 1/20 0.37
ACVR1 Q04771 1/20 0.36
MAP3K12 Q12852 1/20 0.36
LATS1 O95835 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
SCHEMBL17210377 1.00 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL14701496 0.95 DYRK1A (0.40) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL15879837 0.95 DYRK1A (0.40) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL15891142 0.95 DYRK1A (0.40) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL5778634 0.80 SMN1; SMN2 (0.48) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL17210368 0.79 SMN1; SMN2 (0.39) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL14315606 0.79 MAP3K12 (0.42) ALDH1A1SMN1; SMN2GAAHTTLMNA
SCHEMBL17202208 0.79 SMN1; SMN2 (0.39) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL22793078 0.79 DYRK1A (0.44) ALDH1A1SMN1; SMN2GAAHTTLMNA
SCHEMBL12088813 0.78 HCRTR1 (0.40) ALDH1A1MEN1HPGDKMT2ASMN1; 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 5 patents. 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
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
EP-3134410-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-03-01 EP disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 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 (2 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 ALDH1A1 660/4885MEN1 2983/4885HPGD 1674/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 ALDH1A1 660/4885MEN1 2983/4885HPGD 1674/4885

“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.