SCHEMBL5116850

SCHEMBL5116850

O=C(O)N1CCC[C@@H](NC2CCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL5120727 1.00 HTT (0.44) HTTTHRBATML3MBTL1CA1
SCHEMBL28779681 0.98 HTT (0.47) HTTTHRBATML3MBTL1CA1
SCHEMBL3487604 0.98 HTT (0.47) HTTTHRBATML3MBTL1CA1
SCHEMBL3487568 0.96 CA1 (0.41) HTTTHRBATML3MBTL1CA1
SCHEMBL27003453 0.96 CA1 (0.41) HTTTHRBATML3MBTL1CA1
SCHEMBL28513626 0.96 CA1 (0.41) HTTTHRBATML3MBTL1CA1
SCHEMBL28944441 0.96 CA1 (0.41) HTTTHRBATML3MBTL1CA1
SCHEMBL28944439 0.96 CA1 (0.41) HTTTHRBATML3MBTL1CA1
SCHEMBL28779725 0.94 HTT (0.47) HTTTHRBATML3MBTL1CA1
SCHEMBL28779723 0.94 HTT (0.47) HTTTHRBATML3MBTL1CA1

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
US-7432280-B2 3-aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2008-10-07 US disclosed
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
US-20070066663-A1 3-Aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
EP-1638560-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
WO-2005000305-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO 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 (5 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-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 HTT 1695/4885THRB 2920/4885ATM 4842/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 HTT 738/4885THRB 2126/4885ATM 4554/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 HTT 326/4885THRB 383/4885ATM 3629/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A HTT 1193/4885THRB 619/4885ATM 3812/4885
US-20070066663-A1 3-Aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A1 HTT 1373/4885THRB 1434/4885ATM 4233/4885

“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.