SCHEMBL1786190

SCHEMBL1786190

[CH2]CCN1CCC(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.38
HRH3 Q9Y5N1 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
YES1 P07947 1/20 0.33
LYN P07948 1/20 0.33
RET P07949 1/20 0.33
FGR P09769 1/20 0.33
SRC P12931 1/20 0.33
FRK P42685 1/20 0.33

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
SCHEMBL27678968 0.88 HRH3 (0.45) HRH3HRH2HRH1KDM1A
SCHEMBL773069 0.82 L3MBTL3 (0.37) NPY1RHRH3L3MBTL3HRH2HRH1
SCHEMBL10223659 0.80 DRD2 (0.44) NPY1RNOS3NOS1NOS2
SCHEMBL13861717 0.78 L3MBTL3 (0.39) NPY1RHRH3CYP3A4CYP2C9KCNH2
SCHEMBL15956482 0.78 NPY1R (0.43) NPY1RHRH3CYP3A4CYP2C9KCNH2
SCHEMBL22823535 0.78 NPY1R (0.38) NPY1RHRH3CYP3A4CYP2C9KCNH2
SCHEMBL1306996 0.78 ALOX15 (0.50) NPY1RHRH3CYP3A4CYP2C9KCNH2
SCHEMBL17443360 0.78 NPY1R (0.38) NPY1RHRH3CYP3A4CYP2C9KCNH2
Hydrochloric Acid SCHEMBL7220748 0.77 ALOX15 (0.48) NPY1RHRH3CYP3A4CYP2C9KCNH2
SCHEMBL4110445 0.77 GNAO1 (0.48) HRH3CYP3A4CYP2C9KCNH2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
CN-101883762-A Benzothiazoles as modulators of growth hormone releasing hormone receptors ASTRAZENECA AB 2010-11-10 CN disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R NPY1R 5/4885HRH3 422/4885CYP3A4 3775/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R NPY1R 104/4885HRH3 1010/4885CYP3A4 3683/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R NPY1R 329/4885HRH3 939/4885CYP3A4 4435/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R NPY1R 5/4885HRH3 422/4885CYP3A4 3775/4885

“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.