SCHEMBL12259705

SCHEMBL12259705

O=C(NC1(c2ncc(C3CC3)[nH]2)CC1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CTSS P25774 5/20 0.39
CTSL P07711 4/20 0.39
CTSB P07858 3/20 0.39
TSHR P16473 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
CTSK P43235 4/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL2391134 0.81 CTSS (0.42) ALDH1A1GAACTSSCTSLCTSB
SCHEMBL2395204 0.75 CTSB (0.47) ALDH1A1CTSSCTSLCTSBCTSK
SCHEMBL2389829 0.74 CTSS (0.45) ALDH1A1GAACTSSCTSLCTSB
SCHEMBL2394757 0.74 CTSS (0.45) ALDH1A1GAACTSSCTSLCTSB
SCHEMBL142186 0.73 PRMT5 (0.44) GAACTSSCTSLCTSBCTSK
SCHEMBL146703 0.72 POLB (0.44) CTSSCTSLCTSBITGB3ITGA2B
SCHEMBL14705997 0.72 P2RX7 (0.47) ALDH1A1GAACTSSCTSLCTSB
SCHEMBL31247681 0.71 P2RX7 (0.46) ALDH1A1GAACTSSCTSLCTSB
SCHEMBL2147641 0.70 CTSL (0.42) ALDH1A1GAACTSSCTSLCTSB
SCHEMBL1015573 0.70 ALDH1A1 (0.39) ALDH1A1GAACTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ALDH1A1 1552/4885GAA 2048/4885CTSS 335/4885

“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.