SCHEMBL4979546

SCHEMBL4979546

CC(=C(C#N)C#N)c1ccc2cc(N3CCNCC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.52
HTR3E A5X5Y0 4/20 0.52
HTR3B O95264 4/20 0.52
HTR3D Q70Z44 4/20 0.52
HTR3C Q8WXA8 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
HTR5A P47898 1/20 0.52
HTR1A P08908 2/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 2/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
ADRB1 P08588 9/20 0.43
ABL1 P00519 1/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4977907 0.79 HTR3E (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4975218 0.77 GPR119 (0.49) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL14527673 0.72 MAPT (0.55) MAPTAPPSNCAALDH1A1HSD17B10
SCHEMBL4975214 0.71 SLC6A9 (0.38) MAPTAPPSNCATSHRUSP2
SCHEMBL28836584 0.71 MAPT (0.49) MAPTTSHRUSP2ALDH1A1HSD17B10
SCHEMBL15534306 0.70 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15596831 0.70 MAPT (0.54) MAPTAPPSNCAALDH1A1HSD17B10
SCHEMBL3138664 0.70 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30870394 0.70 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL21477129 0.69 MAPT (0.52) HTR1ADRD3MAPTAPPSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7341709-B2 Compositions for labeling β-amyloid plaques and neurofibrillary tangles REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2008-03-11 US disclosed
US-7341709-B2 Compositions for labeling β-amyloid plaques and neurofibrillary tangles REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2008-03-11 US disclosed
EP-1624900-A4 METHODS FOR BINDING AGENTS TO BETA-AMYLOID PLAQUES UNIV CALIFORNIA (US) 2007-05-02 EP disclosed
US-20070053831-A1 Methods for binding agents to b-amyloid plaques THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-03-08 US disclosed
US-20070053831-A1 Methods for binding agents to b-amyloid plaques THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-03-08 US disclosed
EP-1624900-A2 METHODS FOR BINDING AGENTS TO BETA-AMYLOID PLAQUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP disclosed
WO-2005040337-A2 METHODS FOR BINDING AGENTS TO β-AMYLOID PLAQUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-06 WO disclosed
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-04-15 US disclosed
US-6660530-B2 Diagnosis of Alzheimer's disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-09 US disclosed
EP-1105163-A4 METHODS FOR LABELING BETA-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES UNIV CALIFORNIA (US) 2003-05-02 EP disclosed
US-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-21 US disclosed
US-6274119-B1 LABELING .BETA.-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES IN VIVO AND IN VITRO, COMPRISES CONTACTING RADIOLABELED AMINONAPTHALENE DERIVATIVE WITH MAMMALIAN TISSUE THE REGENTS OF THE UNIV. OF CALIFORNIA 2001-08-14 US disclosed
EP-1105163-A1 METHODS FOR LABELING BETA-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-06-13 EP disclosed
WO-2000010614-A1 METHODS FOR LABELING β-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-02 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-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles OXSR1, MSR1, CBR1 HTR3A 836/4885HTR3E 706/4885HTR3B 316/4885
US-20070053831-A1 Methods for binding agents to b-amyloid plaques APBA1, CLTB, FABP7 HTR3A 2262/4885HTR3E 2443/4885HTR3B 1485/4885
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles CBR1, CBR3, MSR1 HTR3A 1032/4885HTR3E 770/4885HTR3B 462/4885

“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.