SCHEMBL5015980

SCHEMBL5015980

O=C(O)CCCN1CCNCCNCCN(CC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CXCR4 P61073 2/20 0.44
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL25212790 0.98 CYP1A2 (0.55) CYP1A2MAPK1SMN1; SMN2CXCR4CHRM5
SCHEMBL9937405 0.91 SMN1; SMN2 (0.62) CYP1A2MAPK1SMN1; SMN2CXCR4CHRM5
SCHEMBL3777682 0.91 SMN1; SMN2 (0.62) CYP1A2MAPK1SMN1; SMN2CXCR4CHRM5
SCHEMBL3193772 0.90 GLA (0.46) CYP1A2MAPK1SMN1; SMN2CXCR4CHRM5
Glutarate SCHEMBL11904902 0.90 SIGMAR1 (0.44) CYP1A2MAPK1SMN1; SMN2CHRM5CHRM3
SCHEMBL1494479 0.89 SMN1; SMN2 (0.64) CYP1A2MAPK1SMN1; SMN2CXCR4CHRM5
Hydrochloric Acid SCHEMBL27554302 0.88 SMN1; SMN2 (0.62) CYP1A2MAPK1SMN1; SMN2CXCR4CHRM5
SCHEMBL8512409 0.88 CYP1A2 (0.67) CYP1A2MAPK1SMN1; SMN2LMNAHSD17B10
SCHEMBL23854090 0.88 CYP1A2 (0.67) CYP1A2MAPK1SMN1; SMN2LMNAHSD17B10
SCHEMBL3970630 0.86 HSD17B10 (0.50) SMN1; SMN2CXCR4CHRM5CHRM3SIGMAR1

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
US-20210228750-A1 POLYMERIC CORE-SHELL PARTICLES BAR-ILAN UNIVERSITY (IL) 2021-07-29 US claimed
EP-3787696-A1 POLYMERIC CORE-SHELL PARTICLES Bar-Ilan University (IL) 2021-03-10 EP claimed
US-20210228750-A1 POLYMERIC CORE-SHELL PARTICLES BAR-ILAN UNIVERSITY (IL) 2021-07-29 US disclosed
EP-3787696-A1 POLYMERIC CORE-SHELL PARTICLES Bar-Ilan University (IL) 2021-03-10 EP disclosed
EP-1603598-B1 RADIOLABELED CONJUGATES BASED ON SUBSTANCE P AND THE USES THEREOF UNIVERSITAETSSPITAL BASEL (CH) 2008-10-08 EP disclosed
US-20070053837-A1 Radiopharmaceuticals for cancer diagnosis and treatment KANTONSSPITAL BASEL (CH) 2007-03-08 US disclosed
EP-1603598-A2 RADIOLABELED CONJUGATES BASED ON SUBSTANCE P AND THE USES THEREOF Universitätsspital Basel (CH) 2005-12-14 EP disclosed
WO-2004082722-A2 RADIOLABELED CONJUGATES BASED ON SUBSTANCE P AND THE USES THEREOF UNIVERSITÄTSSPITAL BASEL (CH) 2004-09-30 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 (1 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-20070053837-A1 Radiopharmaceuticals for cancer diagnosis and treatment TACR1, GRPR, SSTR1 CYP1A2 4202/4885MAPK1 3635/4885SMN1; SMN2 2940/4885

“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.