SCHEMBL20187534

SCHEMBL20187534

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)N(CC(=O)O)c2ccccc2)CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.49
CACNA1B Q00975 5/20 0.49
CACNB1 Q02641 5/20 0.49
CACNA1C Q13936 5/20 0.49
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1387733 0.91 ALDH1A1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CDRD4
SCHEMBL22403100 0.91 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CDRD4
SCHEMBL9080067 0.89 ALDH1A1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CDRD4
SCHEMBL20187617 0.88 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CDRD4
SCHEMBL1387794 0.87 MEN1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL20199981 0.86 DRD4 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CDRD4
SCHEMBL9079952 0.83 MLYCD (0.40) DRD4ALDH1A1KDM4ETSHROPRM1
SCHEMBL20188984 0.83 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CDRD4
SCHEMBL1387857 0.80 ALDH1A1 (0.43) ALDH1A1OPRM1LMNA
SCHEMBL1387663 0.78 S1PR1 (0.63) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US claimed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 US claimed
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
CN-110035996-B Novel highly relaxant gadolinium chelates for magnetic resonance imaging 拜耳医药股份公司 2022-08-09 CN disclosed
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-22 US disclosed
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-22 US disclosed
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US disclosed
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US disclosed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 US disclosed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 US disclosed
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP disclosed
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP disclosed
EP-3544964-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma Aktiengesellschaft (DE) 2019-10-02 EP disclosed
WO-2018096082-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 WO disclosed
WO-2018096082-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 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 (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-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 CACNA2D1 1974/4885CACNA1B 101/4885CACNB1 279/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 CACNA2D1 1974/4885CACNA1B 101/4885CACNB1 279/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 CACNA2D1 1974/4885CACNA1B 101/4885CACNB1 279/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 CACNA2D1 1974/4885CACNA1B 101/4885CACNB1 279/4885

“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.