SCHEMBL3375870

SCHEMBL3375870

C1CCN(N2CCCCC2)CC1.NC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.39
F2 P00734 1/20 0.38
HSD11B1 P28845 4/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
HPGD P15428 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
CHKA P35790 1/20 0.32
POLB P06746 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
Urea SCHEMBL5045628 0.88 L3MBTL1 (0.44) L3MBTL1ALDH1A1F2CA2CA1
Carbamic Acid SCHEMBL29704037 0.85 ACHE (0.44) L3MBTL1ALDH1A1F2CA2CA1
Hydrochloric Acid SCHEMBL18241090 0.82 ALDH1A1 (0.39) ALDH1A1HSD11B1CA2HPGDMMP1
Carbamic Acid SCHEMBL2830897 0.81 ACHE (0.47) L3MBTL1ALDH1A1F2CA2CA1
Cyclohexane SCHEMBL10908944 0.80 LMNA (0.42) L3MBTL1ALDH1A1CA2HPGD
Urea SCHEMBL26980850 0.78 L3MBTL1 (0.38) L3MBTL1ALDH1A1F2CA2CA1
SCHEMBL3658220 0.73 MGLL (0.40) ALDH1A1F2CA2CA1POLB
SCHEMBL2807354 0.73 MGLL (0.40) ALDH1A1F2CA2CA1POLB
SCHEMBL6926105 0.73 MGLL (0.40) ALDH1A1F2CA2CA1POLB
SCHEMBL2457046 0.73 MGLL (0.40) ALDH1A1F2CA2CA1POLB

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
CN-101005840-A Process for preparing camptothecin derivatives, novel intermediates and compounds thereof CHATHAM BIOTEC LTD (CA) 2007-07-25 CN claimed
EP-1995249-B1 CAMPTOTHECIN DERIVATIVES AND THEIR USE SHANGHAI INST MATERIA MEDICA (CN) 2010-11-10 EP disclosed
US-20090325996-A1 CAMPTOTHECIN DERIVATIVES AND THEIR USE SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2009-12-31 US disclosed
EP-1995249-A1 CAMPTOTHECIN DERIVATIVES AND THEIR USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2008-11-26 EP disclosed
CN-101005840-A Process for preparing camptothecin derivatives, novel intermediates and compounds thereof CHATHAM BIOTEC LTD (CA) 2007-07-25 CN 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-20090325996-A1 CAMPTOTHECIN DERIVATIVES AND THEIR USE TOP2A, TOP1, TOP2B L3MBTL1 4660/4885ALDH1A1 1564/4885F2 3369/4885

“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.