SCHEMBL6957366

SCHEMBL6957366

N#CC1CN1C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.53
▸ DPP4 P27487 6/20 0.51
▸ DPP8 Q6V1X1 3/20 0.50
▸ DPP7 Q9UHL4 3/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ ITGB1 P05556 1/20 0.49
▸ ITGA5 P08648 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CACNA1G O43497 3/20 0.47
▸ CACNA1H O95180 3/20 0.47
▸ CACNA1I Q9P0X4 3/20 0.47
▸ FKBP1A P62942 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ FAP Q12884 1/20 0.46

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
SCHEMBL11377543 0.80 DPP4 (0.43) PREPDPP4DPP8DPP7MEN1
SCHEMBL11380215 0.77 DPP4 (0.50) PREPDPP4DPP8DPP7FAP
SCHEMBL6946115 0.77 NPC1 (0.49) DPP4DPP8DPP7CYP2C9CYP2C19
SCHEMBL11381209 0.75 PREP (0.58) PREPDPP4DPP8DPP7MEN1
SCHEMBL11373157 0.75 PREP (0.49) PREPDPP4DPP7
SCHEMBL11192909 0.73 PREP (0.52) PREPDPP4DPP8DPP7NPSR1
SCHEMBL3990079 0.73 MEN1 (0.51) HRH3ITGB1ITGA5NPSR1MEN1
SCHEMBL25471660 0.73 PREP (0.43) PREP
SCHEMBL11375543 0.73 PREP (0.53) PREPDPP4DPP8DPP7FAP
SCHEMBL6950171 0.73 KMT2A (0.44) DPP4DPP8MCL1KMT2ADPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027041-B1 NOVEL CYANOAZIRIDINES FOR TREATING CANCER AMPLIMED INC (US) 2003-10-22 — — EP disclosed
US-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer VALLEY VENTURES III, L.P. 2003-07-10 — — US disclosed
US-6297230-B1 N-CARBAMOYL-SUBSTITUTED AMPLIMED, INC. 2001-10-02 — — 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-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer ABHD16A, PNLIP, LIPA PREP 2593/4885DPP4 3112/4885DPP8 2904/4885

“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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