SCHEMBL8145105

SCHEMBL8145105

CC(=O)NCCN1CCN(C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTR4 Q13639 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL23407902 0.90 SMN1; SMN2 (0.57) NPSR1TP53SMN1; SMN2DRD2DRD4
SCHEMBL13306274 0.87 — —
SCHEMBL4781902 0.87 NPSR1 (0.60) NPSR1NPC1TP53SMN1; SMN2CYP2C19
SCHEMBL19586313 0.86 HTR4 (0.46) NPSR1HTR4NPC1TP53SMN1; SMN2
SCHEMBL23945709 0.84 TP53 (0.41) NPSR1HTR4TP53SMN1; SMN2HRH3
SCHEMBL21106866 0.83 MEN1 (0.41) NPSR1HTR4TP53SMN1; SMN2HRH3
SCHEMBL24765441 0.83 MEN1 (0.41) NPSR1HTR4TP53SMN1; SMN2HRH3
SCHEMBL23709496 0.83 TP53 (0.49) HTR4NPC1TP53SMN1; SMN2CYP2C19
SCHEMBL8146675 0.83 CYP2C19 (0.48) NPSR1NPC1TP53SMN1; SMN2CYP2C19
SCHEMBL8146086 0.82 PIK3CD (0.55) NPSR1NPC1TP53SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 — — WO disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — 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-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK NPSR1 2719/4885HTR4 3844/4885NPC1 4182/4885

“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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