SCHEMBL16705685

SCHEMBL16705685

N#CSc1ccc(CCN2CCCN3CCN(CCCN(Cc4cccc(C(=O)O)n4)CC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
HRH1 P35367 3/20 0.39
PRKAA2 P54646 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD4 P21917 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KCNH2 Q12809 4/20 0.34
FAAH O00519 1/20 0.33
KCNJ1 P48048 1/20 0.33
CDK1 P06493 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
SCHEMBL16705714 1.00 HRH3 (0.39) HRH3HRH1PRKAA2MBTD1L3MBTL3
SCHEMBL18121366 0.92 NOS1 (0.36) HRH3HRH1PRKAA2MBTD1L3MBTL3
SCHEMBL16705683 0.85 SIGMAR1 (0.44) HRH3HRH1PRKAA2MBTD1L3MBTL3
SCHEMBL19605720 0.83 MC4R (0.41) PRKAA2CNR1
SCHEMBL18110236 0.82 CYP2D6 (0.43) HRH3HRH1PRKAA2MBTD1L3MBTL3
SCHEMBL18110284 0.82 CYP2D6 (0.43) HRH3HRH1PRKAA2MBTD1L3MBTL3
SCHEMBL19524174 0.81 PRKAA2 (0.34) PRKAA2CNR1
SCHEMBL30319456 0.81 GNE (0.46) FAAHCNR1
SCHEMBL16705655 0.81 GNE (0.46) FAAHCNR1
SCHEMBL16705657 0.81 GNE (0.46) FAAHCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10434199-B2 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2019-10-08 US disclosed
EP-3068787-B1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2017-11-01 EP disclosed
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-10-06 US disclosed
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-10-06 US disclosed
EP-2871186-B1 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2016-09-21 EP disclosed
WO-2015071334-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF UNIVERSITÉ DE BRETAGNE OCCIDENTALE (FR) 2015-05-21 WO disclosed
EP-2871186-A1 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof Université de Bretagne Occidentale (FR) 2015-05-13 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 (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-10434199-B2 Picolinate cross-bridged cyclams, chelates with metallic cations and use thereof SLC39A14, SLC67A1, SLC39A3 HRH3 2116/4885HRH1 2401/4885PRKAA2 3943/4885
US-20160287733-A1 PICOLINATE CROSS-BRIDGED CYCLAMS, CHELATES WITH METALLIC CATIONS AND USE THEREOF SLC39A14, SLC67A1, SLC39A3 HRH3 2116/4885HRH1 2401/4885PRKAA2 3943/4885

“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.