SCHEMBL17797162

SCHEMBL17797162

CN1CCN(Cc2cccc(C(=O)O)n2)CCN(CCCN)CCN(Cc2cccc(C(=O)O)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CNR1 P21554 1/20 0.39
FAAH O00519 1/20 0.38
MC4R P32245 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL29556580 1.00 SIGMAR1 (0.41) SIGMAR1CYP2D6HRH3CNR1FAAH
SCHEMBL17805278 0.90 MC4R (0.46) CNR1FAAHMC4RKDM4EALDH1A1
SCHEMBL30577958 0.90 MC4R (0.46) CNR1FAAHMC4RKDM4EALDH1A1
SCHEMBL1252458 0.90 MC4R (0.46) CNR1FAAHMC4RKDM4EALDH1A1
SCHEMBL19600508 0.89 ALDH1A1 (0.37) SIGMAR1CYP2D6HRH3CNR1KDM4E
SCHEMBL17805293 0.87 BCHE (0.47) HRH3KDM4EHSD17B10ADORA2AALDH1A1
SCHEMBL23616077 0.86 MC4R (0.41) CNR1FAAHMC4RKDM4EADORA2A
SCHEMBL19605798 0.84 HRH4 (0.42) CNR1FAAHMC4RKDM4E
SCHEMBL21044241 0.84 MC4R (0.41) CNR1FAAHMC4RKDM4EALDH1A1
SCHEMBL30218430 0.84 MC4R (0.41) CNR1FAAHMC4RKDM4EALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909948-B1 BIFUNCTIONAL DO2PA DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NAT RECH SCIENT (FR) 2024-02-28 EP claimed
US-20220143230-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-05-12 US claimed
US-11266754-B2 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-03-08 US claimed
EP-3909948-A1 BIFUNCTIONAL DO2PA DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-11-17 EP claimed
EP-3227272-B1 BIFUNCTIONAL DO2PA DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NAT RECH SCIENT (FR) 2021-07-07 EP claimed
US-20200038527-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2020-02-06 US claimed
US-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-11-16 US claimed
EP-3227272-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF Centre National de la Recherche Scientifique (CNRS) (FR) 2017-10-11 EP claimed
WO-2016087667-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 WO claimed
EP-3029032-A1 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof Centre National de la Recherche Scientifique (CNRS) (FR) 2016-06-08 EP claimed
EP-3909948-B1 BIFUNCTIONAL DO2PA DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NAT RECH SCIENT (FR) 2024-02-28 EP disclosed
EP-3909948-B1 BIFUNCTIONAL DO2PA DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NAT RECH SCIENT (FR) 2024-02-28 EP disclosed
US-20220143230-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-05-12 US disclosed
US-20220143230-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-05-12 US disclosed
US-11266754-B2 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-03-08 US disclosed
US-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-11-16 US disclosed
US-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-11-16 US disclosed
WO-2016087667-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 WO disclosed
EP-3029032-A1 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof Centre National de la Recherche Scientifique (CNRS) (FR) 2016-06-08 EP disclosed
EP-3029032-A1 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof Centre National de la Recherche Scientifique (CNRS) (FR) 2016-06-08 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-20200038527-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 SIGMAR1 271/4885CYP2D6 133/4885HRH3 1008/4885
US-20220143230-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 SIGMAR1 271/4885CYP2D6 133/4885HRH3 1008/4885
US-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 SIGMAR1 271/4885CYP2D6 133/4885HRH3 1008/4885
US-11266754-B2 Bifunctional do2pa derivatives, chelates with metallic cations and use thereof AP2A2, ATP2A2, SLC20A2 SIGMAR1 271/4885CYP2D6 133/4885HRH3 1008/4885

“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.