SCHEMBL17210359

SCHEMBL17210359

C[C@H]1CCCCN1c1ncc(-c2nccc(N)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.43
DYRK1A Q13627 1/20 0.42
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
SMARCA2 P51531 4/20 0.39
SMARCA4 P51532 4/20 0.39
PBRM1 Q86U86 4/20 0.39
NR1I2 O75469 3/20 0.39
NR1H3 Q13133 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL17210369 0.96 MAP3K12 (0.47) MAP3K12DYRK1APIM1PIM3PIM2
SCHEMBL17202027 0.96 MAP3K12 (0.47) MAP3K12DYRK1APIM1PIM3PIM2
SCHEMBL18539056 0.96 MAP3K12 (0.47) MAP3K12DYRK1APIM1PIM3PIM2
SCHEMBL17201952 0.87 DYRK1A (0.42) MAP3K12DYRK1APIM1PIM3PIM2
SCHEMBL17201937 0.83 DYRK1A (0.45) MAP3K12DYRK1APIM1PIM3PIM2
SCHEMBL24942475 0.78 DYRK1A (0.51) MAP3K12DYRK1ASMARCA2SMARCA4PBRM1
SCHEMBL17210409 0.78 PIK3CA (0.40) DYRK1AALDH1A1
SCHEMBL24942471 0.78 DYRK1A (0.51) MAP3K12DYRK1ASMARCA2SMARCA4PBRM1
SCHEMBL17210340 0.78 TRPA1 (0.49) HDAC1HDAC6
SCHEMBL17202009 0.78 TRPA1 (0.49) HDAC1HDAC6

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 8 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
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-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
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 MAP3K12 1885/4885DYRK1A 2860/4885PIM1 4551/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 MAP3K12 1885/4885DYRK1A 2860/4885PIM1 4551/4885

“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.