SCHEMBL10310300

SCHEMBL10310300

N=C(N)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.61
▸ BCHE P06276 7/20 0.61
▸ ACHE P22303 7/20 0.61
▸ DRD2 P14416 6/20 0.60
▸ DRD4 P21917 6/20 0.60
▸ SIGMAR1 Q99720 1/20 0.55
▸ MCHR1 Q99705 1/20 0.54
▸ DPP7 Q9UHL4 1/20 0.53

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
SCHEMBL4202978 0.91 SIGMAR1 (0.65) BACE1BCHEACHEDRD2DRD4
SCHEMBL27811320 0.86 DRD4 (0.67) BACE1BCHEACHEDRD2DRD4
SCHEMBL5844682 0.86 BACE1 (0.61) BACE1BCHEACHEDRD2DRD4
SCHEMBL27811321 0.86 DRD4 (0.67) BACE1BCHEACHEDRD2DRD4
SCHEMBL239527 0.84 DRD4 (0.71) BACE1BCHEACHEDRD2DRD4
SCHEMBL239528 0.84 DRD4 (0.71) BACE1BCHEACHEDRD2DRD4
SCHEMBL20183285 0.82 DRD4 (0.70) BACE1BCHEACHEDRD2DRD4
SCHEMBL19614234 0.82 DRD4 (0.70) BACE1BCHEACHEDRD2DRD4
SCHEMBL17961749 0.82 DRD4 (0.70) BACE1BCHEACHEDRD2DRD4
Sulfuric Acid SCHEMBL4923495 0.81 CCR2 (0.60) BACE1DRD2DRD4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 — — EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 — — US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 — — 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 (3 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 BACE1 1290/4885BCHE 1194/4885ACHE 2026/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 BACE1 1290/4885BCHE 1194/4885ACHE 2026/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 BACE1 1290/4885BCHE 1194/4885ACHE 2026/4885

“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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