SCHEMBL17763196

SCHEMBL17763196

Cn1nc(C(C)(C)N)c2cccc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 9/20 0.49
PRMT5 O14744 1/20 0.38
ESR1 P03372 3/20 0.35
SSTR1 P30872 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CCR4 P51679 1/20 0.34
MAPK14 Q16539 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
LMNA P02545 1/20 0.33
PSMB8 P28062 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
SCHEMBL30017745 0.82 SSTR4 (0.48) SSTR4ESR1SSTR1CYP1A2CYP2A6
SCHEMBL17755307 0.82 SSTR4 (0.48) SSTR4ESR1SSTR1CYP1A2CYP2A6
SCHEMBL17754799 0.81 SSTR4 (0.49) SSTR4ESR1SSTR1TNKSPARP1
SCHEMBL24057961 0.78 SSTR4 (0.33) SSTR4SSTR1
SCHEMBL16252859 0.78 SSTR4 (0.51) SSTR4ESR1PARP1
SCHEMBL22015383 0.77 SSTR4 (0.55) SSTR4SSTR1CCR4MAPK14LMNA
SCHEMBL13106244 0.74 SSTR4 (0.40) SSTR4PRMT5ESR1CYP1A2CYP2A6
SCHEMBL13106356 0.73 ESR1 (0.43) SSTR4PRMT5ESR1CYP1A2CYP2A6
SCHEMBL16252850 0.73 SSTR4 (0.45) SSTR4SSTR1CCR4
SCHEMBL30018094 0.73 SSTR4 (0.45) SSTR4SSTR1CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-03 US disclosed
US-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-09 US disclosed
US-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-09 US disclosed
WO-2016075240-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-19 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-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR1, SSTR3 SSTR4 1/4885PRMT5 1501/4885ESR1 772/4885
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR1, SSTR3 SSTR4 1/4885PRMT5 1501/4885ESR1 772/4885

“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.