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SCHEMBL15831754

SCHEMBL15831754

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.37
▸ PLA2G10 O15496 2/20 0.34
▸ PLA2G5 P39877 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ CACNA1H O95180 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TERT O14746 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ HTR4 Q13639 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10063507 0.92 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL1041478 0.92 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL20260416 0.92 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL16749946 0.92 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL12004645 0.92 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL25728044 0.88 HSD17B10 (0.40) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL12158286 0.88 GLA (0.38) PLA2G10PLA2G5CHRM2CHRM4CHRM1
SCHEMBL25728385 0.86 HSD17B10 (0.37) HSD17B10PLA2G10PLA2G5CHRM2CHRM4
SCHEMBL10025992 0.86 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1KDM4ESMN1; SMN2
SCHEMBL10026042 0.86 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409951-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2016-08-09 — — US disclosed
US-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-08-04 — — US disclosed
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 — — 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-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF MSR1, CD74, CD4 HSD17B10 4870/4885PLA2G10 3661/4885PLA2G5 2057/4885
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 HSD17B10 4649/4885PLA2G10 4476/4885PLA2G5 3988/4885

“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.