SCHEMBL14504645

SCHEMBL14504645

CC(=O)NCC1CC[C@H](N)[C@H](N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ CACNA1H O95180 1/20 0.40
▸ MTNR1A P48039 4/20 0.35
▸ MTNR1B P49286 4/20 0.35
▸ FUCA1 P04066 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ENGASE Q8NFI3 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL4265333 0.83 TDP1 (0.67) TDP1CYP2D6ALDH1A1CYP3A4EPHX1
SCHEMBL21288332 0.83 TDP1 (0.45) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL48633 0.80 — —
SCHEMBL13165688 0.80 TDP1 (0.58) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL2340454 0.78 PLG (0.42) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL2340457 0.78 PLG (0.42) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL2340458 0.78 PLG (0.42) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL22571032 0.78 PLG (0.42) TDP1CACNA1HMTNR1AMTNR1BFUCA1
Hydrochloric Acid SCHEMBL4553435 0.78 — —
SCHEMBL21695528 0.77 TDP1 (0.42) TDP1CACNA1HMTNR1AMTNR1BFUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 — — US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 — — 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 (1 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 TDP1 933/4885CACNA1H 4377/4885MTNR1A 696/4885

“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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