SCHEMBL16616134

SCHEMBL16616134

O=C(O)N1CCC(NCCc2ccc(Cl)nc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.45
DRD4 P21917 5/20 0.42
CD274 Q9NZQ7 2/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
USP2 O75604 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PDCD1 Q15116 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRL1 P41146 2/20 0.34

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
SCHEMBL16616311 0.83 ALDH1A1 (0.47) CD274PDCD1LG2KDM4EALDH1A1SMN1; SMN2
SCHEMBL17870765 0.74 DRD4 (0.40) DRD4KDM4EALDH1A1SMN1; SMN2CHRM2
SCHEMBL2102675 0.73 DRD4 (0.47) DRD4KDM4EALDH1A1SMN1; SMN2CHRM2
SCHEMBL16313687 0.72 DRD4 (0.46) DRD4KDM4EALDH1A1SMN1; SMN2CHRM2
SCHEMBL17870727 0.71 ALDH1A1 (0.40) DRD4KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL17870726 0.71 ALDH1A1 (0.40) DRD4KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL1813802 0.71 ALDH1A1 (0.55) DRD4KDM4EALDH1A1MEN1MAPK1
SCHEMBL1813803 0.71 ALDH1A1 (0.55) DRD4KDM4EALDH1A1MEN1MAPK1
SCHEMBL10125909 0.70 DRD4 (0.52) DRD4KDM4EALDH1A1SMN1; SMN2TAAR1
SCHEMBL3985988 0.70 KDM1A (0.48) DRD4CD274KDM4EALDH1A1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055309-B1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICALS CO (JP) 2018-06-13 EP disclosed
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
EP-3055309-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) Takeda Pharmaceutical Company Limited (JP) 2016-08-17 EP disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
CN-105612158-A Antagonists of somatostatin receptor subtype 5 (sstr5) TAKEDA PHARMACEUTICALS CO 2016-05-25 CN disclosed
WO-2015052910-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 WO disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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 (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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 SLC6A12 1202/4885DRD4 1453/4885CD274 3964/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 SLC6A12 1200/4885DRD4 1386/4885CD274 3847/4885

“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.