SCHEMBL2934464

SCHEMBL2934464

CCCCn1cc(C)nn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.45
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
GBA1 P04062 9/20 0.41
DPP4 P27487 1/20 0.41
SLC9A1 P19634 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
TSHR P16473 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
SCHEMBL16526395 0.94 SMPD1 (0.51) SMPD1DRD2DRD4DRD3GBA1
SCHEMBL16263567 0.92 SMPD1 (0.54) SMPD1DRD2DRD4DRD3GBA1
SCHEMBL14289745 0.92 SMPD1 (0.54) SMPD1DRD2DRD4DRD3GBA1
SCHEMBL2628202 0.87
SCHEMBL13469511 0.87 SMPD1 (0.44) SMPD1DRD2DRD4DRD3GBA1
SCHEMBL12386625 0.82 DPP4 (0.43) SMPD1DRD2DRD4DRD3GBA1
SCHEMBL19020573 0.82 GBA1 (0.41) SMPD1DRD2DRD4DRD3GBA1
SCHEMBL25831178 0.82 DPP4 (0.47) SMPD1DRD2DRD4DRD3GBA1
SCHEMBL24684592 0.81 DPP4 (0.38) SMPD1DRD2DRD4DRD3DPP4
SCHEMBL12386627 0.80 DPP4 (0.42) SMPD1DRD2DRD4DRD3GBA1

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-20230301129-A1 SURFACE-FUNCTIONALIZED SILICON QUANTUM DOTS THE CORETEC GROUP INC. 2023-09-21 US disclosed
US-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS KINETA CHRONIC PAIN, LLC (US) 2020-07-30 US disclosed
WO-2019199634-A1 BIFUNCTIONAL SMALL MOLECULES TO TARGET THE SELECTIVE DEGRADATION OF CIRCULATING PROTEINS YALE UNIVERSITY (US) 2019-10-17 WO disclosed
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed
US-20170319722-A1 CD8-SPECIFIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING REGENERON PHARMACEUTICALS, INC. 2017-11-09 US disclosed
US-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASE SE (DE) 2010-10-21 US disclosed
EP-2229365-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2010-09-22 EP disclosed
WO-2009077452-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2009-06-25 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 (3 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-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS LIPA, IDE, CEL SMPD1 1822/4885DRD2 3395/4885DRD4 3078/4885
US-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS CHRNG, CHRNA9, CHRNA10 SMPD1 2415/4885DRD2 2390/4885DRD4 3658/4885
US-20170319722-A1 CD8-SPECIFIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING CD81, CD4, CD69 SMPD1 1926/4885DRD2 4760/4885DRD4 4375/4885

“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.