SCHEMBL17485679

SCHEMBL17485679

c1ccc(CN2CCNCCN(Cc3ccccn3)CCNCC2)nc1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
CXCR4 P61073 5/20 0.56
KDM4E B2RXH2 4/20 0.55
SIGMAR1 Q99720 2/20 0.55
KDM5C P41229 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SLC6A4 P31645 1/20 0.54
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
PLD1 Q13393 1/20 0.51

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
SCHEMBL4903097 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL209471 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Piperazine SCHEMBL28106509 0.98 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL27587923 0.98 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL1899181 0.98 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL3432550 0.98 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL3387061 0.98 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL30163937 0.98 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL3383287 0.98 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL29250334 0.97 ALDH1A1 (0.58) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177598-B1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INST NAT SANTE RECH MED (FR) 2019-08-28 EP disclosed
US-10351539-B2 Macrocyclic complexes, their process of preparation and use as PET imaging agents INSERM (Institut National de la Santé et de le Recherche Médicale) (FR) 2019-07-16 US disclosed
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 US disclosed
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 US disclosed
WO-2016016272-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2016-02-04 WO disclosed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 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-10351539-B2 Macrocyclic complexes, their process of preparation and use as PET imaging agents MPI, PAICS, TFEB ALDH1A1 1961/4885L3MBTL1 4844/4885ALOX15 3374/4885
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS MPI, PAICS, TFEB ALDH1A1 1961/4885L3MBTL1 4844/4885ALOX15 3374/4885

“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.