SCHEMBL1318693

SCHEMBL1318693

O=C(NC1CCCCC1)[C@H]1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
SLC6A1 P30531 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
SLC6A11 P48066 1/20 0.53
SLC6A13 Q9NSD5 1/20 0.53
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
CYP2D6 P10635 1/20 0.52
POLB P06746 1/20 0.52
EPHX1 P07099 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EPHX2 P34913 2/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL612579 1.00 SMN1; SMN2 (0.53) SMN1; SMN2SLC6A1TSHRLMNASLC6A11
SCHEMBL29979907 1.00 SMN1; SMN2 (0.53) SMN1; SMN2SLC6A1TSHRLMNASLC6A11
SCHEMBL24322676 0.98 SMN1; SMN2 (0.55) SMN1; SMN2SLC6A1TSHRLMNASLC6A11
SCHEMBL29542501 0.98 SMN1; SMN2 (0.55) SMN1; SMN2SLC6A1TSHRLMNASLC6A11
SCHEMBL19278876 0.93 SLC6A1 (0.57) SMN1; SMN2SLC6A1TSHRLMNASLC6A11
SCHEMBL2328415 0.93 SLC6A1 (0.57) SMN1; SMN2SLC6A1TSHRLMNASLC6A11
SCHEMBL6321055 0.93 SLC6A1 (0.57) SMN1; SMN2SLC6A1TSHRLMNASLC6A11
SCHEMBL2146026 0.91 POLB (0.58) SMN1; SMN2TSHRLMNAMAPTKDM4E
SCHEMBL2146022 0.91 POLB (0.58) SMN1; SMN2TSHRLMNAMAPTKDM4E
Trifluoroacetic Acid SCHEMBL610386 0.89 SLC6A1 (0.47) SMN1; SMN2SLC6A1TSHRLMNASLC6A11

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 WO disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 SMN1; SMN2 4444/4885SLC6A1 4116/4885TSHR 2240/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN SMN1; SMN2 4226/4885SLC6A1 4073/4885TSHR 1902/4885

“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.