SCHEMBL1833770

SCHEMBL1833770

COC(=O)c1ccc(C(=O)NCCCN2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
SLC29A1 Q99808 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
ATM Q13315 2/20 0.57
KMT2A Q03164 1/20 0.57
NAMPT P43490 1/20 0.57
GLA P06280 2/20 0.56

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
SCHEMBL10720314 0.93 ALDH1A1 (0.70) POLBMAPTLMNAALDH1A1GAA
SCHEMBL3124560 0.88 POLB (0.81) POLBMAPTLMNAALDH1A1GAA
SCHEMBL5487158 0.87 SMYD2 (0.62) POLBMAPTSLC29A1L3MBTL1ATM
SCHEMBL13211930 0.86 NPSR1 (0.79) POLBMAPTLMNAALDH1A1GAA
SCHEMBL5474324 0.85 POLB (0.75) POLBMAPTLMNAALDH1A1GAA
SCHEMBL10194869 0.85 NPSR1 (0.81) POLBMAPTLMNAALDH1A1GAA
SCHEMBL14430699 0.84 MAPK1 (0.50) POLBMAPTMAPK1RECQLSLC29A1
SCHEMBL5474202 0.83 ALDH1A1 (0.71) MAPTLMNAALDH1A1GAAMAPK1
SCHEMBL5477139 0.83 GLA (0.59) POLBMAPTLMNAALDH1A1GAA
SCHEMBL14287848 0.83 HRH3 (0.66) POLBMAPTALDH1A1RECQLCYP1A2

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-1904442-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2011-09-07 EP disclosed
US-8008296-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-08-30 US disclosed
EP-2322506-A1 Histamine H3 receptor agents, preparation and therapeutic uses Eli Lilly and Company (US) 2011-05-18 EP disclosed
US-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-06-24 US disclosed
EP-1904442-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
WO-2007005503-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-01-11 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 (2 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A POLB 1519/4885MAPT 983/4885LMNA 3298/4885
US-20100160319-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 POLB 4414/4885MAPT 825/4885LMNA 4368/4885

“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.