SCHEMBL9925465

SCHEMBL9925465

Sc1ccccc1C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.60
SLC18A3 Q16572 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC6A2 P23975 7/20 0.51
SLC6A4 P31645 7/20 0.51
SLC6A3 Q01959 7/20 0.51
HTR1A P08908 6/20 0.51
ADRB2 P07550 1/20 0.49

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
SCHEMBL30493303 0.84 HTR2C (0.72) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL2653821 0.84 CHRNB4 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7450882 0.80 HTR1A (0.42) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL23735529 0.78 PTGDR2 (0.42) HTR2CHTR1A
SCHEMBL5887373 0.78 PTGDR2 (0.42) HTR2CHTR1A
SCHEMBL11836887 0.75 HTR2C (0.60) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL1513258 0.75 HTR2C (1.00) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL233327 0.75 HTR1A (0.61) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL14879859 0.75 HTR2C (0.60) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL5584664 0.75 HTR2C (0.60) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228049-B1 Dental composition DENTSPLY DETREY GMBH (DE) 2016-11-09 EP disclosed
US-20120149801-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-06-14 US disclosed
US-20120149801-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-06-14 US disclosed
WO-2010102786-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2010-09-16 WO disclosed
EP-2228049-A1 Dental composition Dentsply DeTrey GmbH (DE) 2010-09-15 EP 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 (1 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-20120149801-A1 DENTAL COMPOSITION SMCHD1, GGH, DDX3X HTR2C 4783/4885SLC18A3 4297/4885SIGMAR1 2201/4885

“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.