SCHEMBL3626700

SCHEMBL3626700

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
PAOX Q6QHF9 1/20 0.45
KMT2A Q03164 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL17022243 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRPAOXKMT2A
SCHEMBL8038150 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRPAOXKMT2A
SCHEMBL27018154 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRPAOXKMT2A
SCHEMBL13789337 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRPAOXKMT2A
SCHEMBL9391670 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRPAOXKMT2A
SCHEMBL12238110 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRPAOXKMT2A
SCHEMBL15140 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRPAOXKMT2A
Hydrochloric Acid SCHEMBL2150998 0.98 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRPAOXKMT2A
Hydrochloric Acid SCHEMBL2192702 0.98 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRPAOXKMT2A
Hydrochloric Acid SCHEMBL1128116 0.98 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRPAOXKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220233726-A1 NOVEL RADIOLABELLED COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE-SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-28 US disclosed
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-14 US disclosed
US-20210402016-A1 RADIOLABELED BOMBESIN-DERIVED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2021-12-30 US disclosed
US-20150110715-A1 Double-Labeled Probe for Molecular Imaging and Use Thereof RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2015-04-23 US disclosed
US-8420050-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
WO-2010029947-A1 CONTRAST MEDIUM COMPOSITION AND PROCESS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-03-18 WO disclosed
US-20090175786-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2009-07-09 US disclosed
US-20080008649-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2008-01-10 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 (6 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-20090175786-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR HSD17B10 4647/4885ALDH1A1 4399/4885TSHR 260/4885
US-20080008649-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR HSD17B10 4647/4885ALDH1A1 4399/4885TSHR 260/4885
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY CXCR4, CXCR1, FPR1 HSD17B10 4478/4885ALDH1A1 3495/4885TSHR 264/4885
US-20210402016-A1 RADIOLABELED BOMBESIN-DERIVED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS GRPR, NPY1R, GIPR HSD17B10 4833/4885ALDH1A1 4483/4885TSHR 50/4885
US-20220233726-A1 NOVEL RADIOLABELLED COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE-SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER KLK3, FOLH1, HRH3 HSD17B10 2959/4885ALDH1A1 1996/4885TSHR 132/4885
US-20150110715-A1 Double-Labeled Probe for Molecular Imaging and Use Thereof CD47, ANXA5, CD44 HSD17B10 4215/4885ALDH1A1 1371/4885TSHR 1668/4885

“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.