SCHEMBL17119216

SCHEMBL17119216

C1CNCCSCCCSCCNC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.39

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
Thiomorpholine SCHEMBL28234116 0.90 CXCR4 (0.60) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL12100700 0.90
SCHEMBL138572 0.90
SCHEMBL12882833 0.90 CXCR4 (0.41) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL7203635 0.90 CXCR4 (0.33) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL15355221 0.88 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL869844 0.88
Hydrochloric Acid SCHEMBL1870653 0.88
SCHEMBL29016828 0.87 ALDH1A1 (0.53) CXCR4SMN1; SMN2ALDH1A1
Thiomorpholine SCHEMBL6624599 0.87 ALDH1A1 (0.53) CXCR4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321287-A1 RADIOLABELLED GRPR-ANTAGONIST FOR USE AS THERAGNOSTIC NOVARTIS AG (CH) 2023-10-12 US disclosed
US-20230321287-A1 RADIOLABELLED GRPR-ANTAGONIST FOR USE AS THERAGNOSTIC NOVARTIS AG (CH) 2023-10-12 US disclosed
US-20220008568-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2022-01-13 US disclosed
US-20220008566-A1 Pharmaceutical Composition Comprising a Radiolabeled GRPR Antagonist and a Surfactant ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2022-01-13 US disclosed
US-20210346529-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2021-11-11 US disclosed
US-20210346528-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2021-11-11 US disclosed
US-11083805-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2021-08-10 US disclosed
EP-3536347-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER Advanced Accelerator Applications USA, Inc. (US) 2019-09-11 EP disclosed
EP-2900279-B1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER ADVANCED ACCELERATOR APPLICATIONS USA INC (US) 2019-08-14 EP disclosed
US-20180133349-A1 Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2018-05-17 US disclosed
US-20180133349-A1 Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2018-05-17 US disclosed
US-9839703-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS USA, INC. (US) 2017-12-12 US disclosed
US-9839703-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS USA, INC. (US) 2017-12-12 US disclosed
US-20150265732-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2015-09-24 US disclosed
US-20150265732-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2015-09-24 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 (8 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-20150265732-A1 GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER GRPR, GIPR, CCKBR CXCR4 880/4885SMN1; SMN2 4210/4885ALDH1A1 4001/4885
US-20180133349-A1 Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CXCR4 904/4885SMN1; SMN2 3979/4885ALDH1A1 4088/4885
US-20210346528-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CXCR4 904/4885SMN1; SMN2 3979/4885ALDH1A1 4088/4885
US-20210346529-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CXCR4 904/4885SMN1; SMN2 3979/4885ALDH1A1 4088/4885
US-20220008566-A1 Pharmaceutical Composition Comprising a Radiolabeled GRPR Antagonist and a Surfactant GRPR, GIPR, SCTR CXCR4 946/4885SMN1; SMN2 3404/4885ALDH1A1 4771/4885
US-20220008568-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR CXCR4 904/4885SMN1; SMN2 3979/4885ALDH1A1 4088/4885
US-11083805-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer GRPR, GIPR, CCKBR CXCR4 904/4885SMN1; SMN2 3979/4885ALDH1A1 4088/4885
US-20230321287-A1 RADIOLABELLED GRPR-ANTAGONIST FOR USE AS THERAGNOSTIC GRPR, GIPR, SCTR CXCR4 928/4885SMN1; SMN2 4348/4885ALDH1A1 4782/4885

“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.