SCHEMBL1636366

SCHEMBL1636366

CCCN(CCC)CCOCCN(C)Cc1ccc(CN)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HRH3 Q9Y5N1 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.36
PYCR1 P32322 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
SCHEMBL2206045 0.83 HRH3 (0.46) HRH3CARM1PRMT6PRMT8KDM4E
SCHEMBL4667028 0.82 CARM1 (0.52) TSHRHRH3KEAP1NFE2L2CARM1
Hydrochloric Acid SCHEMBL2202973 0.81 CXCR4 (0.45) HRH3CARM1PRMT6PRMT8KDM4E
SCHEMBL13078725 0.76 HRH3 (0.69) HRH3
SCHEMBL24508725 0.73 KDM4E (0.53) TSHRHRH3KEAP1NFE2L2CARM1
SCHEMBL19715501 0.72 TSHR (0.61) TSHRCARM1PRMT6PRMT8KDM4E
SCHEMBL1206737 0.72 HRH3 (0.53) HRH3
SCHEMBL21118237 0.72 HRH3 (0.54) TSHRHRH3CARM1PRMT6PRMT8
SCHEMBL1638551 0.71 HRH3 (0.52) HRH3
Hydrochloric Acid SCHEMBL19715538 0.71 TSHR (0.59) TSHRCARM1PRMT6PRMT8KDM4E

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-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 TSHR 1111/4885HRH3 77/4885KEAP1 3069/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 TSHR 1353/4885HRH3 64/4885KEAP1 2470/4885

“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.